Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50044291   

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))	BDBM50011517 (CHEMBL3262547) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3	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	153	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by ...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50381677 (CHEMBL1256748 | U-69593) Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/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	60	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by ...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50011519 (CHEMBL3262549) Show SMILES CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C30H34N2O/c1-2-26-28-15-9-10-16-29(28)32(30(26)33)25-17-20-31(21-18-25)22-19-27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25-27H,2,17-22H2,1H3	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
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by ...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50011518 (CHEMBL3262548) Show SMILES CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc12 Show InChI InChI=1S/C24H27N3O/c1-2-19-21-7-3-4-9-23(21)27(24(19)28)18-11-14-26(15-12-18)16-17-6-5-8-22-20(17)10-13-25-22/h3-10,13,18-19,25H,2,11-12,14-16H2,1H3	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
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by ...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair