Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50326662'   

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))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea-pig brain membranes incubated for 30 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01327 BindingDB Entry DOI: 10.7270/Q2RB7870
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human KOR expressed in CHO cell membranes incubated for 60 mins scintillation counting assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01327 BindingDB Entry DOI: 10.7270/Q2RB7870
					More data for this Ligand-Target Pair