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BDBM50222915 4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyrazol-3-yl]-biphenyl-2,4-diol::CHEMBL241231

SMILES: Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1

InChI Key: InChIKey=FWKYXJNFMVWNMH-UHFFFAOYSA-N

Data: 1 KI  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 = 50222915   
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))
BDBM50222915
PNG
(4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222915
PNG
(4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at human CHK1 in CA46 cells by histone H3 ELISA assay


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair