BDBM304738 3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid::US10144731, Example 24

SMILES: CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1

InChI Key: InChIKey=JJZPWGQPPUTFLQ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 304738   

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
Keap1 (aa 321-609) (Homo sapiens (Human))	BDBM304738 (3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...) Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1 Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM304738 (3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...) Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1 Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair