Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM285850'   

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))	BDBM285850 ((2S,6R,11R)-3-(Cyclopropylmethyl)-6,11-dimethyl-8-...) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:37:36:24:28.29.30.31,22:21:24:28.29.30.31,19:20:24:28.29.30.31| Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96E+3	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))	BDBM285850 ((2S,6R,11R)-3-(Cyclopropylmethyl)-6,11-dimethyl-8-...) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:37:36:24:28.29.30.31,22:21:24:28.29.30.31,19:20:24:28.29.30.31| Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/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	1.28E+4	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))	BDBM285850 ((2S,6R,11R)-3-(Cyclopropylmethyl)-6,11-dimethyl-8-...) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:37:36:24:28.29.30.31,22:21:24:28.29.30.31,19:20:24:28.29.30.31| Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/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	350	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