Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50066202'   

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))	BDBM50066202 ((S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(b...) Show SMILES CN(C)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C36H39N5O4/c1-39(2)34(43)29-16-9-10-17-30(29)38-36(45)41-21-11-18-32(41)33(42)37-31(35(44)40(3)24-25-12-5-4-6-13-25)23-26-19-20-27-14-7-8-15-28(27)22-26/h4-10,12-17,19-20,22,31-32H,11,18,21,23-24H2,1-3H3,(H,37,42)(H,38,45)/t31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...				J Med Chem 41: 3159-73 (1998) Article DOI: 10.1021/jm970499g BindingDB Entry DOI: 10.7270/Q2BZ66QJ
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