Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50472915'   

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))	BDBM50472915 (CHEMBL114036 | MEN-11540) Show SMILES O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 Show InChI InChI=1S/C33H35N5O4/c39-30-20-24(17-22-9-3-1-4-10-22)31(40)34-15-16-35-32(41)28(18-23-11-5-2-6-12-23)38-33(42)29(37-30)19-25-21-36-27-14-8-7-13-26(25)27/h1-14,21,24,28-29,36H,15-20H2,(H,34,40)(H,35,41)(H,37,39)(H,38,42)/t24?,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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))	BDBM50472915 (CHEMBL114036 | MEN-11540) Show SMILES O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 Show InChI InChI=1S/C33H35N5O4/c39-30-20-24(17-22-9-3-1-4-10-22)31(40)34-15-16-35-32(41)28(18-23-11-5-2-6-12-23)38-33(42)29(37-30)19-25-21-36-27-14-8-7-13-26(25)27/h1-14,21,24,28-29,36H,15-20H2,(H,34,40)(H,35,41)(H,37,39)(H,38,42)/t24?,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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