Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50407836'   

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))	BDBM50407836 (CHEMBL2112240) 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](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C51H52FN7O7/c1-30(60)45-50(65)57-43(26-31-11-3-2-4-12-31)51(66)59-24-10-19-44(59)49(64)56-41(27-34-15-9-14-33-13-5-6-16-37(33)34)46(61)55-42(28-35-29-53-39-18-8-7-17-38(35)39)47(62)54-40(48(63)58-45)25-32-20-22-36(52)23-21-32/h2-9,11-18,20-23,29-30,40-45,53,60H,10,19,24-28H2,1H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1				J Med Chem 39: 2441-8 (1996) Article DOI: 10.1021/jm960281e BindingDB Entry DOI: 10.7270/Q2P84CJT
					More data for this Ligand-Target Pair