Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50472912'   

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-K receptor (Homo sapiens (Human))	BDBM50472912 (CHEMBL116564 | MEN-11712) Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 Show InChI InChI=1S/C37H37N5O4/c43-34-16-17-35(44)41-33(21-28-22-38-31-13-7-6-12-30(28)31)37(46)42-32(20-24-8-2-1-3-9-24)36(45)40-29(23-39-34)19-25-14-15-26-10-4-5-11-27(26)18-25/h1-15,18,22,29,32-33,38H,16-17,19-21,23H2,(H,39,43)(H,40,45)(H,41,44)(H,42,46)/t29-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 2				J Med Chem 43: 4041-4 (2000) Article DOI: 10.1021/jm0010217 BindingDB Entry DOI: 10.7270/Q2Z322CV
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50472912 (CHEMBL116564 | MEN-11712) Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 Show InChI InChI=1S/C37H37N5O4/c43-34-16-17-35(44)41-33(21-28-22-38-31-13-7-6-12-30(28)31)37(46)42-32(20-24-8-2-1-3-9-24)36(45)40-29(23-39-34)19-25-14-15-26-10-4-5-11-27(26)18-25/h1-15,18,22,29,32-33,38H,16-17,19-21,23H2,(H,39,43)(H,40,45)(H,41,44)(H,42,46)/t29-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments				J Med Chem 45: 3418-29 (2002) Article DOI: 10.1021/jm011127h BindingDB Entry DOI: 10.7270/Q2765J28
					More data for this Ligand-Target Pair