Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50407840'   

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))	BDBM50407840 (CHEMBL2112241) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)cc1 Show InChI InChI=1S/C48H53N7O8/c1-29(56)42-47(61)53-40(26-31-14-7-4-8-15-31)48(62)55-23-11-18-41(55)46(60)52-37(24-30-12-5-3-6-13-30)43(57)51-39(27-33-28-49-36-17-10-9-16-35(33)36)44(58)50-38(45(59)54-42)25-32-19-21-34(63-2)22-20-32/h3-10,12-17,19-22,28-29,37-42,49,56H,11,18,23-27H2,1-2H3,(H,50,58)(H,51,57)(H,52,60)(H,53,61)(H,54,59)/t29-,37+,38+,39-,40+,41+,42+/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	59	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