Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000547   

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))	BDBM50007095 (6,11-Diethyl-3-furan-3-ylmethyl-1,2,3,4,5,6-hexahy...) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](CC)(CCN1Cc1ccoc1)[C@H]2CC |r,THB:16:15:22:9.3.2,8:9:22:13.15.14| Show InChI InChI=1S/C21H27NO2/c1-3-18-20-11-16-5-6-17(23)12-19(16)21(18,4-2)8-9-22(20)13-15-7-10-24-14-15/h5-7,10,12,14,18,20,23H,3-4,8-9,11,13H2,1-2H3/t18-,20+,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007102 (6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50453067 (CHEMBL2367762) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@H]1OC(=O)C=C1)[C@H]2C |r,c:22,THB:8:9:22:14.12.13,15:14:22:9.3.2| Show InChI InChI=1S/C19H23NO3/c1-12-17-9-13-3-4-14(21)10-16(13)19(12,2)7-8-20(17)11-15-5-6-18(22)23-15/h3-6,10,12,15,17,21H,7-9,11H2,1-2H3/t12-,15-,17+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007096 (3-Furan-2-ylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexah...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccco1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H23NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h3-6,9,11,13,18,21H,7-8,10,12H2,1-2H3/t13-,18+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50453069 (CHEMBL2367764) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@@H]1CCC(=O)O1)[C@H]2C |r,THB:8:9:22:14.12.13,15:14:22:9.3.2| Show InChI InChI=1S/C19H25NO3/c1-12-17-9-13-3-4-14(21)10-16(13)19(12,2)7-8-20(17)11-15-5-6-18(22)23-15/h3-4,10,12,15,17,21H,5-9,11H2,1-2H3/t12-,15-,17+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50453075 (CHEMBL2367603) Show SMILES [H][C@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(O)cc32)CCCO1 |r,THB:18:19:8:3.4.5,2:3:8:19.13.12| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16+,18+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50453071 (CHEMBL2367758) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@@H]1OC(=O)C=C1)[C@H]2C |r,c:22,THB:8:9:22:14.12.13,15:14:22:9.3.2| Show InChI InChI=1S/C19H23NO3/c1-12-17-9-13-3-4-14(21)10-16(13)19(12,2)7-8-20(17)11-15-5-6-18(22)23-15/h3-6,10,12,15,17,21H,7-9,11H2,1-2H3/t12-,15+,17+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50453066 (CHEMBL2367761) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@@H]1CC(=C)C(=O)O1)[C@H]2C |r,THB:8:9:23:14.12.13,15:14:23:9.3.2| Show InChI InChI=1S/C20H25NO3/c1-12-8-16(24-19(12)23)11-21-7-6-20(3)13(2)18(21)9-14-4-5-15(22)10-17(14)20/h4-5,10,13,16,18,22H,1,6-9,11H2,2-3H3/t13-,16-,18+,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007098 (6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@H]1CCC(=O)O1)[C@H]2C |r,THB:8:9:22:14.12.13,15:14:22:9.3.2| Show InChI InChI=1S/C19H25NO3/c1-12-17-9-13-3-4-14(21)10-16(13)19(12,2)7-8-20(17)11-15-5-6-18(22)23-15/h3-4,10,12,15,17,21H,5-9,11H2,1-2H3/t12-,15+,17+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of [3H]-bremazocine from opioid receptor kappa of guinea pig membrane.				J Med Chem 34: 2438-44 (1991) BindingDB Entry DOI: 10.7270/Q2NC605T
					More data for this Ligand-Target Pair