JNJ 7777120 [Ligand Id: 1278] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL129198 (JNJ-7777120)
  • H1 receptor/Histamine H1 receptor in Human [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367]
  • Histamine H1 receptor in Guinea pig [ChEMBL: CHEMBL3943] [UniProtKB: P31389]
  • 0
1 CHEMBL129198_lig_chart_1 Histamine H1 receptor HumanGuinea pig
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  • H2 receptor/Histamine H2 receptor in Human [ChEMBL: CHEMBL1941] [GtoPdb: 263] [UniProtKB: P25021]
  • This target only has 1 pki data point
  • 5.07
2 CHEMBL129198_lig_chart_2 Histamine H2 receptor Human
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  • H3 receptor/Histamine H3 receptor in Human [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1]
  • H3 receptor/Histamine H3 receptor in Rat [ChEMBL: CHEMBL4124] [GtoPdb: 264] [UniProtKB: Q9QYN8]
  • 5.86
3 CHEMBL129198_lig_chart_3 Histamine H3 receptor HumanRat
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4 CHEMBL129198_lig_chart_4 Histamine H4 receptor HumanMouseRatGuinea pig
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367]
ChEMBL Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting B 4.33 pKi 46773.51 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6274-6280 [PMID:21944853]
ChEMBL Binding affinity to human histamine H1 receptor B 6.01 pKi 977.24 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
Histamine H1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3943] [UniProtKB: P31389]
ChEMBL Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins F 5.8 pKd 1584.89 nM Kd Bioorg. Med. Chem. Lett. (2011) 21: 6274-6280 [PMID:21944853]
ChEMBL Antagonist activity at histamine H1 receptor in guinea-pig ileum assessed as inhibition of histamine-induced contractions after 15 mins B 6.11 pKd 776.25 nM Kd Bioorg Med Chem (2019) 27: 1254-1262 [PMID:30792106]
H2 receptor/Histamine H2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1941] [GtoPdb: 263] [UniProtKB: P25021]
ChEMBL Binding affinity to human histamine H2 receptor B 5.07 pKi >8511.38 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1]
ChEMBL Binding affinity to human histamine H3 receptor B 4.7 pKi >20000 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Binding affinity to human histamine H3 receptor B 4.82 pKi 15300 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Binding affinity to histamine H3 receptor B 5.29 pKi 5125 nM Ki J. Med. Chem. (2005) 48: 8289-8298 [PMID:16366610]
ChEMBL Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting B 5.3 pKi 5011.87 nM Ki J. Med. Chem. (2011) 54: 8136-8147 [PMID:22003888]
ChEMBL Binding affinity to human histamine H3 receptor B 5.65 pKi 2238.72 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Binding affinity to human histamine H3 receptor B 5.65 pKi 2238.72 nM Ki J. Med. Chem. (2008) 51: 6571-6580 [PMID:18811133]
ChEMBL Binding affinity towards human histamine H3 receptor was determined by [3H]Na-methylhistamine binding to SK-N-MC cell membranes B 5.7 pKi 1995.26 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 5251-5256 [PMID:15454206]
ChEMBL Effective concentration required against human histamine H3 receptor was determined by the inhibition of the cAMP stimulated beta-galactosidase transcription in SK-N-MC cells B 6 pEC50 1000 nM EC50 Bioorg. Med. Chem. Lett. (2004) 14: 5251-5256 [PMID:15454206]
H3 receptor/Histamine H3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4124] [GtoPdb: 264] [UniProtKB: Q9QYN8]
ChEMBL Binding affinity to rat histamine H3 receptor B 5.84 pKi 1445.44 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Binding affinity to rat histamine H3 receptor B 5.88 pKi 1318.26 nM Ki J. Med. Chem. (2008) 51: 6571-6580 [PMID:18811133]
H4 receptor/Histamine H4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3759] [GtoPdb: 265] [UniProtKB: Q9H3N8]
ChEMBL pA2 value against histamine h4 receptor B 8 pKd 10 nM Kd Bioorg. Med. Chem. Lett. (2004) 14: 5251-5256 [PMID:15454206]
ChEMBL Antagonistic activity at human histamine H4 receptor in SK-N-MC cells by inhibition of forskolin-stimulated cAMP-mediated reporter gene activity F 8.1 pKd 7.94 nM Kd J. Med. Chem. (2005) 48: 8289-8298 [PMID:16366610]
ChEMBL Decrease in the forskolin stimulatedcAMP levels was determined using SK-N-MC cells stably transfected with the human H4 receptor F 8.14 pKd 7.24 nM Kd J. Med. Chem. (2003) 46: 3957-3960 [PMID:12954048]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells by competitive kinetic analysis B 8.4 pKd 3.98 nM Kd Bioorg. Med. Chem. Lett. (2013) 23: 2663-2670 [PMID:23558237]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor L175'5.39V mutant transfected in HEK293T cells after 1.5 hrs by liquid scintillation counting analysis B 6.4 pKi 398.11 nM Ki MedChemComm (2013) 4: 193-204
ChEMBL Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding assay B 6.93 pKi 118 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 cells co-expressing mammalian Galphai2 and Gbeta1gamma2 B 7.16 pKi 69 nM Ki J. Med. Chem. (2016) 59: 3452-3470 [PMID:27007611]
ChEMBL Binding affinity to histamine H4 receptor B 7.3 pKi 50.12 nM Ki Bioorg. Med. Chem. (2009) 17: 7186-7196 [PMID:19773175]
ChEMBL Antagonist activity at human histamine H4 receptor expressed in HEK293 cells assessed as rev inhibition of forskolin-stimulated cAMP accumulation by CRE-betalactamase reporter gene assay F 7.34 pKi 46 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Binding affinity to histamine 4 receptor (unknown origin) B 7.45 pKi 35.48 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 292-300 [PMID:26718844]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor E182'5.46Q mutant transfected in HEK293T cells after 1.5 hrs by liquid scintillation counting analysis B 7.5 pKi 31.62 nM Ki MedChemComm (2013) 4: 193-204
ChEMBL Displacement of [3H]histamine from wild type human histamine H4 receptor transfected in HEK293T cells after 1.5 hrs by liquid scintillation counting analysis B 7.7 pKi 19.95 nM Ki MedChemComm (2013) 4: 193-204
ChEMBL Binding affinity towards human histamine H4 receptor was determined by [3H]Na-methylhistamine binding to SK-N-MC cell membranes B 7.7 pKi 19.95 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 5251-5256 [PMID:15454206]
ChEMBL Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting B 7.73 pKi 18.62 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6274-6280 [PMID:21944853]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells B 7.77 pKi 17 nM Ki J. Med. Chem. (2008) 51: 3145-3153 [PMID:18459760]
ChEMBL Antagonist activity at Homo sapiens (human) histamine H4 receptor B 7.77 pKi 17 nM Ki Med Chem Res (2004) 13: 619-630
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells B 7.8 pKi 15.85 nM Ki J. Med. Chem. (2006) 49: 4512-4516 [PMID:16854056]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells B 7.8 pKi 15.85 nM Ki J. Med. Chem. (2008) 51: 2457-2467 [PMID:18357976]
ChEMBL Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting B 7.8 pKi 15.85 nM Ki J. Med. Chem. (2011) 54: 8136-8147 [PMID:22003888]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 B 7.85 pKi 14 nM Ki Bioorg. Med. Chem. (2009) 17: 7186-7196 [PMID:19773175]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cell membrane incubated for 60 mins B 7.89 pKi 13 nM Ki J. Med. Chem. (2016) 59: 3452-3470 [PMID:27007611]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells by liquid scintillation counting B 7.92 pKi 12.02 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells B 7.92 pKi 12.02 nM Ki J. Med. Chem. (2008) 51: 6571-6580 [PMID:18811133]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells B 7.92 pKi 12.02 nM Ki J. Med. Chem. (2008) 51: 6547-6557 [PMID:18817367]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells B 7.92 pKi 12 nM Ki J. Med. Chem. (2008) 51: 6547-6557 [PMID:18817367]
ChEMBL Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding assay B 8.1 pKi 8 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Displacement of [3H]-histamine from full length human H4R expressed in HEK293 cells B 8.1 pKi 8 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique B 8.1 pKi 8 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6591-6595 [PMID:21955944]
ChEMBL Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamase reporter gene assay F 8.17 pKi 6.8 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Antagonist activity at human histamine H4 receptor by functional assay F 8.17 pKi 6.8 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6591-6595 [PMID:21955944]
ChEMBL Antagonist activity at human histamine H4 receptor expressed in HEK293 cells assessed as rev inhibition of forskolin-stimulated cAMP accumulation by CRE-betalactamase reporter gene assay F 8.17 pKi 6.8 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins B 8.2 pKi 6.31 nM Ki J. Med. Chem. (2013) 56: 4264-4276 [PMID:23668417]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells B 8.2 pKi 6.31 nM Ki Eur. J. Med. Chem. (2012) 54: 660-668 [PMID:22749391]
ChEMBL Binding affinity to human histamine H4 receptor B 8.22 pKi 6 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 461-467 [PMID:22153663]
GtoPdb - - 8.3 pKi 5.01 nM Ki J Pharmacol Exp Ther (2005) 314: 1310-21 [PMID:15947036];
J Pharmacol Exp Ther (2004) 309: 404-413 [PMID:14722321];
J Med Chem (2006) 49: 4512-6 [PMID:16854056]
ChEMBL Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis B 8.3 pKi 5 nM Ki J. Med. Chem. (2014) 57: 2429-2439 [PMID:24495018]
ChEMBL Displacement of [3H]histamine from human recombinant histamine H4 receptor B 8.3 pKi 5 nM Ki Bioorg. Med. Chem. Lett. (2015) 25: 956-959 [PMID:25595684]
ChEMBL Displacement of [3H]histamine from human recombinant histamine H4 receptor B 8.3 pKi 5 nM Ki Bioorg. Med. Chem. Lett. (2014) 24: 5489-5492 [PMID:25455490]
ChEMBL Displacement of [3H]histamine from human histamine 4 receptor expressed in HEK293T cell membranes incubated for 1 hr by radioligand binding assay B 8.31 pKi 4.9 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 292-300 [PMID:26718844]
ChEMBL Binding affinity to human histamine H4 receptor B 8.35 pKi 4.5 nM Ki J. Med. Chem. (2015) 58: 7119-7127 [PMID:25993395]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells B 8.38 pKi 4.17 nM Ki J. Med. Chem. (2008) 51: 7855-7865 [PMID:19053770]
ChEMBL Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells B 8.4 pKi 4 nM Ki J. Med. Chem. (2005) 48: 8289-8298 [PMID:16366610]
ChEMBL Antagonist activity at Homo sapiens (human) histamine H4 receptor B 8.4 pKi 4 nM Ki Med Chem Res (2004) 13: 619-630
ChEMBL Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes B 8.4 pKi 4 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 461-467 [PMID:22153663]
ChEMBL Displacement of [3H]- histamine from the recombinant human histamine H4 receptor B 8.4 pKi 4 nM Ki J. Med. Chem. (2003) 46: 3957-3960 [PMID:12954048]
ChEMBL Displacement of [3H]histamine from human histamine H4 receptor B 8.4 pKi 4 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 3113-3116 [PMID:21458260]
ChEMBL Binding affinity to human histamine H4 receptor B 8.4 pKi 4 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1156-1159 [PMID:22189138]
ChEMBL Displacement of [3H]-histamine from human H4R expressed in HEK293T cells B 8.48 pKi 3.31 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced CD11b upregulation F 6.65 pIC50 221.4 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Antagonist actiivty at human H4R expressed in human U2OS cells assessed as inhibition of [35S]GTPgammaS binding after 30 mins by scintillation proximity assay F 6.7 pIC50 199.53 nM IC50 J. Med. Chem. (2014) 57: 6887-6896 [PMID:24697360]
ChEMBL Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced shape change by GAFS assay F 6.7 pIC50 199 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Inhibition of human eosinophil chemotaxis mediated by histamine H4 receptor F 7.07 pIC50 86 nM IC50 J. Med. Chem. (2005) 48: 8289-8298 [PMID:16366610]
ChEMBL Inhibition of histamine H4 receptor-mediated chemotaxis in human eosinophils B 7.07 pIC50 86 nM IC50 Eur. J. Med. Chem. (2012) 54: 660-668 [PMID:22749391]
ChEMBL Inhibition of mouse bone-marrow mast cell chemotaxis mediated by histamine H4 receptor F 7.4 pIC50 40 nM IC50 J. Med. Chem. (2005) 48: 8289-8298 [PMID:16366610]
ChEMBL Antagonist activity at H4R in human eosinophils assessed as inhibition of imetit-induced shape change by GAFS assay F 7.52 pIC50 30 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Antagonist activity at recombinant human H4 receptor expressed in CHOK1 cells co-expressing Galpha16/aequorin assessed as inhibition of histamine-induced intracellular calcium flux preincubated for 30 mins followed by histamine addition and measured for 30 secs in presence of coelenterazine by luminescence assay B 7.89 pIC50 13 nM IC50 Bioorg Med Chem (2019) 27: 1254-1262 [PMID:30792106]
ChEMBL Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced actin polymerisation F 8.28 pIC50 5.3 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Agonist activity at human H4R expressed in human U2OS cells assessed as recruitment of beta-arrestin after 2 hrs by PathHunter beta-galactosidase enzyme fragment complementation assay B 7.6 pEC50 25.12 nM EC50 J. Med. Chem. (2014) 57: 6887-6896 [PMID:24697360]
ChEMBL Inverse agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 assessed as stimulation of [35S]GTPgammaS binding F 7.8 pEC50 15.85 nM EC50 Bioorg. Med. Chem. (2009) 17: 7186-7196 [PMID:19773175]
ChEMBL Agonist activity at histamine H4 receptor (unknown origin) assessed as increase in beta-arrestin recruitment B 7.9 pEC50 12.59 nM EC50 J Med Chem (2018) 61: 9841-9878 [PMID:29939744]
H4 receptor/Histamine H4 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5657] [GtoPdb: 265] [UniProtKB: Q91ZY2]
ChEMBL Displacement of [3H]-histamine from mouse H4R expressed in HEK293T cells B 8.41 pKi 3.89 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Inhibition of histamine H4 receptor-mediated chemotaxis in mouse bone marrow cells B 7.4 pIC50 40 nM IC50 Eur. J. Med. Chem. (2012) 54: 660-668 [PMID:22749391]
ChEMBL Agonist activity at mouse H4R by [35S]-GTPgammaS-binding assay B 6.1 pEC50 794.33 nM EC50 J Med Chem (2019) 62: 8338-8356 [PMID:31469288]
ChEMBL Antagonist activity at mouse histamine H4 receptor expressed in HEK293 cells assessed as inhibition of histamine-induced intracellular calcium elevation by FLIPR assay F 8.62 pEC50 2.4 nM EC50 J. Med. Chem. (2008) 51: 6547-6557 [PMID:18817367]
H4 receptor/Histamine H4 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4468] [GtoPdb: 265] [UniProtKB: Q91ZY1]
ChEMBL Binding affinity to rat histamine H4 receptor B 8.22 pKi 6 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 461-467 [PMID:22153663]
ChEMBL Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293 cells by liquid scintillation counting B 8.33 pKi 4.68 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Displacement of [3H]-histamine from rat H4R expressed in HEK293T cells B 8.37 pKi 4.27 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]
ChEMBL Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293 cells B 8.57 pKi 2.69 nM Ki J. Med. Chem. (2008) 51: 6547-6557 [PMID:18817367]
ChEMBL Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293 cells B 8.57 pKi 2.69 nM Ki J. Med. Chem. (2008) 51: 6571-6580 [PMID:18811133]
ChEMBL Binding affinity of compound towards rat histamine H4 receptor B 8.62 pKi 2.4 nM Ki J. Med. Chem. (2003) 46: 3957-3960 [PMID:12954048]
ChEMBL Agonist activity at rat H4R by [35S]-GTPgammaS-binding assay B 6.13 pEC50 741.31 nM EC50 J Med Chem (2019) 62: 8338-8356 [PMID:31469288]
ChEMBL Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpressing Gqi5 protein by GTPgammaS assay F 7.37 pEC50 42.66 nM EC50 J. Med. Chem. (2008) 51: 6571-6580 [PMID:18811133]
ChEMBL Antagonist activity at rat histamine H4 receptor expressed in HEK293 cells assessed as inhibition of histamine-induced intracellular calcium elevation by FLIPR assay F 8.59 pEC50 2.57 nM EC50 J. Med. Chem. (2008) 51: 6547-6557 [PMID:18817367]
Histamine H4 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255160] [UniProtKB: Q91ZY3]
ChEMBL Displacement of [3H]-histamine from guinea pig H4R expressed in HEK293T cells B 5.97 pKi 1071.52 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 6596-6602 [PMID:21920751]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]