Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50002941'   

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))	BDBM50002941 (CHEMBL428203) Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50002941 (CHEMBL428203) Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Agonist activity at NK2 receptor in guinea pig smooth muscle				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair