Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50039650   

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))	BDBM50381666 (CHEMBL2022307) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccco1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-10-14(20(26)28-4)22(2)8-7-13-21(27)31-17(15-6-5-9-29-15)11-23(13,3)19(22)18(16)25/h5-6,9,13-14,16-17,19H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as caclium mobilization after 1 hrs by fluorescence analy...				Bioorg Med Chem 20: 3100-10 (2012) Article DOI: 10.1016/j.bmc.2012.02.040 BindingDB Entry DOI: 10.7270/Q27H1KK0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50381656 (CHEMBL2022296) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C27H31NO9/c1-13(29)36-18-11-17(24(33)35-4)26(2)9-8-16-25(34)37-19(12-27(16,3)22(26)21(18)31)20(30)14-6-5-7-15(10-14)23(28)32/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3,(H2,28,32)/t16-,17-,18-,19-,22-,26-,27-/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	75	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as caclium mobilization after 1 hrs by fluorescence analy...				Bioorg Med Chem 20: 3100-10 (2012) Article DOI: 10.1016/j.bmc.2012.02.040 BindingDB Entry DOI: 10.7270/Q27H1KK0
					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	13	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as caclium mobilization after 1 hrs by fluorescence analy...				Bioorg Med Chem 20: 3100-10 (2012) Article DOI: 10.1016/j.bmc.2012.02.040 BindingDB Entry DOI: 10.7270/Q27H1KK0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as caclium mobilization after 1 hrs by fluorescence analy...				Bioorg Med Chem 20: 3100-10 (2012) Article DOI: 10.1016/j.bmc.2012.02.040 BindingDB Entry DOI: 10.7270/Q27H1KK0
					More data for this Ligand-Target Pair