Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50064034'   

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))	BDBM50064034 ((5S,8R,11S,14R,17S,19aS)-5-Benzyl-11-(4-fluoro-ben...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C51H52FN7O7/c1-30(60)45-50(65)57-43(26-31-10-3-2-4-11-31)51(66)59-23-9-16-44(59)49(64)56-41(27-33-17-20-34-12-5-6-13-35(34)24-33)46(61)55-42(28-36-29-53-39-15-8-7-14-38(36)39)47(62)54-40(48(63)58-45)25-32-18-21-37(52)22-19-32/h2-8,10-15,17-22,24,29-30,40-45,53,60H,9,16,23,25-28H2,1H3,(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,58,63)/t30-,40+,41+,42-,43+,44+,45-/m1/s1	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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity was measured for Tachykinin receptor 1				J Med Chem 41: 1382-91 (1998) Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q
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