Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50304173'   

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))	BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair