Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM285816'   

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))	BDBM285816 ((2S, 6R, 11R)-3-(Cyclopropylmethyl)-8-({2-[2-(2-me...) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:31:30:18:22.23.24.25,16:15:18:22.23.24.25,13:14:18:22.23.24.25| Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	619	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM285816 ((2S, 6R, 11R)-3-(Cyclopropylmethyl)-8-({2-[2-(2-me...) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:31:30:18:22.23.24.25,16:15:18:22.23.24.25,13:14:18:22.23.24.25| Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	7.5	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM285816 ((2S, 6R, 11R)-3-(Cyclopropylmethyl)-8-({2-[2-(2-me...) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:31:30:18:22.23.24.25,16:15:18:22.23.24.25,13:14:18:22.23.24.25| Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair