BDBM463516 3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylic acid::US10781185, Example 47

SMILES: CC1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=MODHPFWYLIVFGN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 463516   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463516 (3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-...) Show SMILES CC1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H19N3O2/c1-13-6-5-11-23(13)19-18(14-7-3-2-4-8-14)21-16-10-9-15(20(24)25)12-17(16)22-19/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioEnergenix LLC US Patent					Assay Description Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...				US Patent US10781185 (2020)
					More data for this Ligand-Target Pair