Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM222962'   

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))	BDBM222962 (US9315514, 6) Show SMILES CC(C)(C)[C@@]1(C)OC(O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25)c1ccccc1 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C35H43NO4/c1-31(2,3)32(4)25-19-33-14-15-35(25,40-29(39-32)22-8-6-5-7-9-22)30-34(33)16-17-36(20-21-10-11-21)26(33)18-23-12-13-24(37)28(38-30)27(23)34/h5-9,12-13,21,25-26,29-30,37H,10-11,14-20H2,1-4H3/t25-,26-,29?,30-,32+,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.61	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222962 (US9315514, 6) Show SMILES CC(C)(C)[C@@]1(C)OC(O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25)c1ccccc1 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C35H43NO4/c1-31(2,3)32(4)25-19-33-14-15-35(25,40-29(39-32)22-8-6-5-7-9-22)30-34(33)16-17-36(20-21-10-11-21)26(33)18-23-12-13-24(37)28(38-30)27(23)34/h5-9,12-13,21,25-26,29-30,37H,10-11,14-20H2,1-4H3/t25-,26-,29?,30-,32+,33-,34+,35-/m1/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	>20	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair