Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50038784   

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))	BDBM50248968 (14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane				J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50248990 (14beta-(4-Methylcinnamoyloxy)-N-cyclopropylmethyl-...) Show SMILES Cc1ccc(\C=C\C(=O)O[C@]23CCC(=O)[C@@H]4Oc5c6c(C[C@H]2N(CC2CC2)CC[C@@]346)ccc5O)cc1 |r| Show InChI InChI=1S/C30H31NO5/c1-18-2-4-19(5-3-18)8-11-25(34)36-30-13-12-23(33)28-29(30)14-15-31(17-20-6-7-20)24(30)16-21-9-10-22(32)27(35-28)26(21)29/h2-5,8-11,20,24,28,32H,6-7,12-17H2,1H3/b11-8+/t24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane				J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50248969 (14beta-(4-Chlorocinnamoyloxy)-N-cyclopropylmethyl-...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H28ClNO5/c30-20-7-3-17(4-8-20)5-10-24(34)36-29-12-11-22(33)27-28(29)13-14-31(16-18-1-2-18)23(29)15-19-6-9-21(32)26(35-27)25(19)28/h3-10,18,23,27,32H,1-2,11-16H2/b10-5+/t23-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane				J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N
					More data for this Ligand-Target Pair