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BDBM50218719 8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]-diazepin-11(10H)-one::CHEMBL396060

SMILES: COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1

InChI Key: InChIKey=IKBCATXQFWJEDR-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50218719   
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
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair