Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM98546'   

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))	BDBM98546 (US8492564, 7) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)C(O)=O |r| Show InChI InChI=1S/C20H26O9/c1-9(21)28-12-7-11(17(25)27-4)19(2)6-5-10-18(26)29-13(16(23)24)8-20(10,3)15(19)14(12)22/h10-13,15H,5-8H2,1-4H3,(H,23,24)/t10?,11-,12-,13-,15-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The McLean Hospital Corporation; Temple University School of Medicine US Patent					Assay Description In vitro binding assay: The affinities of compounds for opioid receptors were determined by competitive inhibition of [3H]diprenorphine binding to ka...				US Patent US8492564 (2013) BindingDB Entry DOI: 10.7270/Q2NV9GW0
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