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BDBM50307538 8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL606000

SMILES: NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DFBJIWSACMQONP-UHFFFAOYSA-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 = 50307538   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50307538
PNG
(8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dih...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 442n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307538
PNG
(8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dih...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair