Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM494104'   

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))	BDBM494104 (US10988481, Compound 10) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair