CP 99994 [Ligand Id: 2102] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL441225 (CP-99994)
  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
  • Neurokinin 1 receptor in Guinea pig [ChEMBL: CHEMBL3942] [UniProtKB: P30547]
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  • NK3 receptor/Neurokinin 3 receptor in Rat [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
NK1 receptor/Neurokinin 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
ChEMBL Antagonistic potency for NK-1 receptor was determined in vitro, using isolated rabbit vena cava. F 8.9 pKd 1.26 nM Kd Bioorg. Med. Chem. Lett. (1997) 7: 203-208
ChEMBL In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound. B 5 pKi >10000 nM Ki J. Med. Chem. (1992) 35: 4911-4913 [PMID:1282570]
ChEMBL In vitro binding affinity towards human NK-1 receptor in IM-9 cells using [3H]SP of substance P antagonist B 8.82 pKi 1.5 nM Ki Bioorg. Med. Chem. Lett. (1994) 4: 1865-1868
ChEMBL Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes B 9.1 pKi 0.79 nM Ki Bioorg. Med. Chem. Lett. (1995) 5: 2671-2676
ChEMBL In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound. B 9.32 pKi 0.48 nM Ki J. Med. Chem. (1992) 35: 4911-4913 [PMID:1282570]
ChEMBL Compound was evaluated for binding affinity towards neurokinin NK1 receptor. B 9.4 pKi 0.4 nM Ki Bioorg. Med. Chem. Lett. (1996) 6: 13-16
ChEMBL Binding affinity was carried out with NK 1 receptors from U-373MG human astrocytoma cell line B 9.4 pKi 0.4 nM Ki Bioorg. Med. Chem. Lett. (1996) 6: 161-164
ChEMBL Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells B 9.6 pKi 0.25 nM Ki J. Med. Chem. (1995) 38: 4985-4992 [PMID:8544174]
ChEMBL In vitro binding affinity against human NK1 receptor expressed in CHO cells using [3H]-substance P as radioligand B 9.6 pKi 0.25 nM Ki Bioorg. Med. Chem. Lett. (1995) 5: 1271-1274
GtoPdb - - 9.7 pKi - - - J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866];
Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858]
ChEMBL In vitro inhibitory activity against human NK1 receptor was determined B 9.77 pKi 0.17 nM Ki Bioorg. Med. Chem. Lett. (1995) 5: 2671-2676
ChEMBL In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound. B 9.77 pKi 0.17 nM Ki J. Med. Chem. (1992) 35: 4911-4913 [PMID:1282570]
ChEMBL Binding affinity towards human Tachykinin receptor 1 by the displacement of [125I]- Substance P in CHO Cells B 9 pIC50 1 nM IC50 Bioorg. Med. Chem. Lett. (1994) 4: 1917-1920
ChEMBL Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells B 9.2 pIC50 0.63 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 6887-6890 [PMID:17967540]
ChEMBL Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cells B 9.22 pIC50 0.6 nM IC50 J. Med. Chem. (2004) 47: 5381-5392 [PMID:15481976]
ChEMBL Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells B 9.22 pIC50 0.6 nM IC50 Bioorg. Med. Chem. Lett. (1995) 5: 209-212
ChEMBL Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. B 9.3 pIC50 0.5 nM IC50 J. Med. Chem. (1995) 38: 934-941 [PMID:7535362]
ChEMBL Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells B 9.3 pIC50 0.5 nM IC50 Bioorg. Med. Chem. Lett. (1995) 5: 1345-1350
ChEMBL Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells B 9.3 pIC50 0.5 nM IC50 J. Med. Chem. (1996) 39: 2907-2914 [PMID:8709125]
ChEMBL Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells B 9.3 pIC50 0.5 nM IC50 J. Med. Chem. (1996) 39: 1760-1762 [PMID:8627597]
ChEMBL Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells F 9.31 pIC50 0.49 nM IC50 Bioorg. Med. Chem. Lett. (1998) 8: 281-284 [PMID:9871670]
ChEMBL Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells B 9.7 pIC50 0.2 nM IC50 J. Med. Chem. (1995) 38: 3106-3120 [PMID:7543579]
ChEMBL Antagonist activity at NK1 receptor F 9.77 pIC50 0.17 nM IC50 J. Med. Chem. (2011) 54: 2467-2476 [PMID:21413804]
ChEMBL Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand. B 9.77 pIC50 0.17 nM IC50 J. Med. Chem. (1998) 41: 3609-3623 [PMID:9733486]
Neurokinin 1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3942] [UniProtKB: P30547]
ChEMBL Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig B 9.57 pKi 0.27 nM Ki J. Med. Chem. (1993) 36: 3197-3201 [PMID:7693945]
ChEMBL Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig B 9.77 pKi 0.17 nM Ki J. Med. Chem. (1993) 36: 3197-3201 [PMID:7693945]
ChEMBL In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay B 8.54 pIC50 2.9 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 705-709 [PMID:11266174]
Neurokinin 2 receptor in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3433] [UniProtKB: P79218]
ChEMBL Antagonistic potency for NK-2 receptor was determined in vitro, using isolated rabbit pulmonary artery. F 4 pKd >100000 nM Kd Bioorg. Med. Chem. Lett. (1997) 7: 203-208
NK3 receptor/Neurokinin 3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
ChEMBL Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein. F 4 pKd >100000 nM Kd Bioorg. Med. Chem. Lett. (1997) 7: 203-208

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]