Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50343623'   

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))	BDBM50343623 ((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...) Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15| Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,51+,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343623 ((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...) Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15| Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,51+,52+/m0/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	7.30	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair