BindingDB logo
myBDB logout

BDBM50329463 2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrrole-3-carboxamide::CHEMBL1270324::US9670191, H1

SMILES: NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1

InChI Key: InChIKey=ULBMJFDNOMWCTI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50329463   
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
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50329463
PNG
(2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrro...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H17N5O/c22-20(27)16-13-18(25-19(16)14-7-3-1-4-8-14)17-11-12-23-21(26-17)24-15-9-5-2-6-10-15/h1-13,25H,(H2,22,27)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM50329463
PNG
(2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrro...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H17N5O/c22-20(27)16-13-18(25-19(16)14-7-3-1-4-8-14)17-11-12-23-21(26-17)24-15-9-5-2-6-10-15/h1-13,25H,(H2,22,27)(H,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a<100n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The assay consists of the transfer of radioactivity labeled phosphate moiety by the kinase to an acceptor substrate. The resulting 33P-labeled produc...


Citation and Details
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329463
PNG
(2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrro...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H17N5O/c22-20(27)16-13-18(25-19(16)14-7-3-1-4-8-14)17-11-12-23-21(26-17)24-15-9-5-2-6-10-15/h1-13,25H,(H2,22,27)(H,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair