Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50033818'   

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))	BDBM50033818 (5-(1H-Indol-3-ylmethyl)-3-(3-trifluoromethyl-benzy...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033818 (5-(1H-Indol-3-ylmethyl)-3-(3-trifluoromethyl-benzy...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
					More data for this Ligand-Target Pair