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BDBM50214559 3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro-indeno[1,2-c]pyrazol-7-ol::CHEMBL248200::Chk1_130

SMILES: COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1

InChI Key: InChIKey=DZQSMOOQLBUCRF-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50214559   
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


(Homo sapiens (Human))
BDBM50214559
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 4308-15 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.027
BindingDB Entry DOI: 10.7270/Q2PZ58JV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50214559
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)


Article DOI: 10.1007/s10822-016-9974-4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)