Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50052276'   

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))	BDBM50052276 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.501	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
Substance-P receptor (Homo sapiens (Human))	BDBM50052276 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 39: 2907-14 (1996) Article DOI: 10.1021/jm9506534 BindingDB Entry DOI: 10.7270/Q2D21WP4
					More data for this Ligand-Target Pair