Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50143273'   

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 (Homo sapiens (Human))	BDBM50143273 (7-((R)-2-Acetylamino-3-cyclohexyl-propionylamino)-...) Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O Show InChI InChI=1S/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50143273 (7-((R)-2-Acetylamino-3-cyclohexyl-propionylamino)-...) Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O Show InChI InChI=1S/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
					More data for this Ligand-Target Pair