Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50000718   

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))	BDBM50008983 (1-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCN2C(=O)c3ccccc3C2=O)CC1)C(=O)OC Show InChI InChI=1S/C26H29N3O5/c1-3-22(30)29(19-9-5-4-6-10-19)26(25(33)34-2)13-15-27(16-14-26)17-18-28-23(31)20-11-7-8-12-21(20)24(28)32/h4-12H,3,13-18H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest, Inc. Curated by ChEMBL					Assay Description In vitro binding activity against opioid receptor kappa using [3H]-EKC) as radioligand				J Med Chem 34: 827-41 (1991) BindingDB Entry DOI: 10.7270/Q2TQ60H9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM83450 (ALFENTANIL | Alfentanil hydrochloride | MLS0023206...) Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1 Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest, Inc. Curated by ChEMBL					Assay Description In vitro binding activity against opioid receptor kappa using [3H]-EKC) as radioligand				J Med Chem 34: 827-41 (1991) BindingDB Entry DOI: 10.7270/Q2TQ60H9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50008981 (CHEMBL169587 | N-{1-[2-(1,3-Dioxo-1,3-dihydro-isoi...) Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31N3O4/c1-3-23(30)29(20-9-5-4-6-10-20)26(19-33-2)13-15-27(16-14-26)17-18-28-24(31)21-11-7-8-12-22(21)25(28)32/h4-12H,3,13-19H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest, Inc. Curated by ChEMBL					Assay Description In vitro binding activity against opioid receptor kappa using [3H]-EKC) as radioligand				J Med Chem 34: 827-41 (1991) BindingDB Entry DOI: 10.7270/Q2TQ60H9
					More data for this Ligand-Target Pair