Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM220378'   

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))	BDBM220378 (US9290488, L2b(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C30H40N4O3/c35-29-28(32-13-12-27(32)30(36)37)31-25-10-3-4-11-26(25)34(29)24-17-21-8-5-9-22(18-24)33(21)23-15-19-6-1-2-7-20(14-19)16-23/h3-4,10-11,19-24,27H,1-2,5-9,12-18H2,(H,36,37)/t19-,20+,21-,22+,23-,24+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	86	-40.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid rece...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220378 (US9290488, L2b(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C30H40N4O3/c35-29-28(32-13-12-27(32)30(36)37)31-25-10-3-4-11-26(25)34(29)24-17-21-8-5-9-22(18-24)33(21)23-15-19-6-1-2-7-20(14-19)16-23/h3-4,10-11,19-24,27H,1-2,5-9,12-18H2,(H,36,37)/t19-,20+,21-,22+,23-,24+,27-/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	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 μg/μL kappa membrane protein (in-hous...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair