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BDBM50335662 (S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol::4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol::CHEMBL1234108

SMILES: Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1

InChI Key: InChIKey=DZNFGQDAMCNMLC-YQTOOIBONA-N

Data: 2 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 = 50335662   
Target
(Institution)
LigandTarget
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)
BDBM50335662
PNG
((S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/s2
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PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335662
PNG
((S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)

More data for this
Ligand-Target Pair