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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]