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BDBM91954 Chk1_86

SMILES: COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12

InChI Key: InChIKey=MISULHNMPZDLJW-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 91954   
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
CHK1_Kinase


(Homo sapiens (Human))
BDBM91954
PNG
(Chk1_86)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C23H16N2O3/c1-28-19-12-15(10-11-18(19)26)13-6-8-14(9-7-13)21-20-22(25-24-21)16-4-2-3-5-17(16)23(20)27/h2-12,26H,1H3,(H,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

D3R
>1.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM91954
PNG
(Chk1_86)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C23H16N2O3/c1-28-19-12-15(10-11-18(19)26)13-6-8-14(9-7-13)21-20-22(25-24-21)16-4-2-3-5-17(16)23(20)27/h2-12,26H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/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