BDBM304730 3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-((5-ethyl-1,1-dioxido-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)methyl)-4-methylphenyl)propanoic acid::US10144731, Example 16

SMILES: CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=GRYNUYVNLFSDGO-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 = 304730   

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))	BDBM304730 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C29H33N5O4S/c1-5-33-14-15-34(39(37,38)27-9-7-6-8-25(27)33)18-22-16-21(11-10-19(22)2)24(17-28(35)36)23-12-13-26-29(20(23)3)30-31-32(26)4/h6-13,16,24H,5,14-15,17-18H2,1-4H3,(H,35,36)	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))	BDBM304730 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C29H33N5O4S/c1-5-33-14-15-34(39(37,38)27-9-7-6-8-25(27)33)18-22-16-21(11-10-19(22)2)24(17-28(35)36)23-12-13-26-29(20(23)3)30-31-32(26)4/h6-13,16,24H,5,14-15,17-18H2,1-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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