Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50435126' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50435126
(CHEMBL2392023)Show SMILES Ic1ccccc1N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:15.18,8.8,TLB:16:15:11.10:13.14,THB:7:8:11.10:13.14,(27.46,-20.24,;26.34,-19.18,;26.7,-17.68,;25.59,-16.62,;24.1,-17.05,;23.75,-18.55,;24.86,-19.62,;24.5,-21.16,;23.07,-21.75,;21.58,-21.35,;20.1,-21.75,;19.33,-23.08,;20.81,-22.69,;20.81,-21.14,;21.58,-19.81,;22.3,-23.08,;22.89,-24.51,;24.42,-24.71,;25.01,-26.13,;26.53,-26.33,;27.47,-25.11,;26.87,-23.69,;25.35,-23.49,;21.95,-25.73,;20.43,-25.52,;19.49,-26.74,;20.08,-28.17,;21.61,-28.37,;22.54,-27.15,)| Show InChI InChI=1S/C26H27IN2/c27-22-13-7-8-14-23(22)28-25-21-15-17-29(18-16-21)26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26,28H,15-18H2/t25-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Displacement of [3H]Substance P from human recombinant substance P receptor expressed in CHO cells after 90 mins |
Bioorg Med Chem Lett 23: 1834-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50435126
(CHEMBL2392023)Show SMILES Ic1ccccc1N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:15.18,8.8,TLB:16:15:11.10:13.14,THB:7:8:11.10:13.14,(27.46,-20.24,;26.34,-19.18,;26.7,-17.68,;25.59,-16.62,;24.1,-17.05,;23.75,-18.55,;24.86,-19.62,;24.5,-21.16,;23.07,-21.75,;21.58,-21.35,;20.1,-21.75,;19.33,-23.08,;20.81,-22.69,;20.81,-21.14,;21.58,-19.81,;22.3,-23.08,;22.89,-24.51,;24.42,-24.71,;25.01,-26.13,;26.53,-26.33,;27.47,-25.11,;26.87,-23.69,;25.35,-23.49,;21.95,-25.73,;20.43,-25.52,;19.49,-26.74,;20.08,-28.17,;21.61,-28.37,;22.54,-27.15,)| Show InChI InChI=1S/C26H27IN2/c27-22-13-7-8-14-23(22)28-25-21-15-17-29(18-16-21)26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26,28H,15-18H2/t25-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Displacement of [3H]Substance P from human recombinant substance P receptor expressed in CHO cells after 90 mins |
Bioorg Med Chem Lett 23: 1834-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC |
More data for this Ligand-Target Pair | |