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BDBM304767 (3S)-3-(1,4-dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-{4-methyl-3-[(N-methylbenzenesulfonamido)methyl]phenyl}propanoic acid::US10144731, Example 56

SMILES: CN(Cc1cc(ccc1C)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1C)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=RZDVYTYOVMEPBY-QHCPKHFHSA-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 = 304767   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304767
PNG
((3S)-3-(1,4-dimethyl-1H-1,2,3-benzotriazol-5-yl)-3...)
Show SMILES CN(Cc1cc(ccc1C)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N4O4S/c1-17-10-11-19(14-20(17)16-29(3)35(33,34)21-8-6-5-7-9-21)23(15-25(31)32)22-12-13-24-26(18(22)2)27-28-30(24)4/h5-14,23H,15-16H2,1-4H3,(H,31,32)/t23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM304767
PNG
((3S)-3-(1,4-dimethyl-1H-1,2,3-benzotriazol-5-yl)-3...)
Show SMILES CN(Cc1cc(ccc1C)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H28N4O4S/c1-17-10-11-19(14-20(17)16-29(3)35(33,34)21-8-6-5-7-9-21)23(15-25(31)32)22-12-13-24-26(18(22)2)27-28-30(24)4/h5-14,23H,15-16H2,1-4H3,(H,31,32)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/an/an/an/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)

More data for this
Ligand-Target Pair