Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50013849'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013849 (14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12...) Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19| Show InChI InChI=1S/C27H31N5O3/c1-31(19-7-5-18(6-8-19)29-30-28)20-10-11-27(34)22-14-17-4-9-21(33)24-23(17)26(27,25(20)35-24)12-13-32(22)15-16-2-3-16/h4-9,16,20,22,25,33-34H,2-3,10-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Opioid receptor kappa 1 apparent binding constant from guinea pig cerebellum using [3H]diprenorphine binding assay				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair