Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50093090'   

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))	BDBM50093090 (1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...) Show SMILES CO\N=C(\COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H32Cl2F6N2O3/c1-44-41-29(20-45-19-21-15-24(31(35,36)37)18-25(16-21)32(38,39)40)26(22-7-8-27(33)28(34)17-22)9-12-42-13-10-30(43,11-14-42)23-5-3-2-4-6-23/h2-8,15-18,26,43H,9-14,19-20H2,1H3/b41-29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 10: 2329-32 (2001) BindingDB Entry DOI: 10.7270/Q21Z43P9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50093090 (1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...) Show SMILES CO\N=C(\COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H32Cl2F6N2O3/c1-44-41-29(20-45-19-21-15-24(31(35,36)37)18-25(16-21)32(38,39)40)26(22-7-8-27(33)28(34)17-22)9-12-42-13-10-30(43,11-14-42)23-5-3-2-4-6-23/h2-8,15-18,26,43H,9-14,19-20H2,1H3/b41-29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity of compound against Tachykinin receptor 1				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50093090 (1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...) Show SMILES CO\N=C(\COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H32Cl2F6N2O3/c1-44-41-29(20-45-19-21-15-24(31(35,36)37)18-25(16-21)32(38,39)40)26(22-7-8-27(33)28(34)17-22)9-12-42-13-10-30(43,11-14-42)23-5-3-2-4-6-23/h2-8,15-18,26,43H,9-14,19-20H2,1H3/b41-29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair