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BDBM7127 3-Benzamidoaminopyrazole deriv. 4::CHEMBL324942::N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

SMILES: O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1

InChI Key: InChIKey=LUCORKWTQSQFFU-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 7127   
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
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM7127
PNG
(3-Benzamidoaminopyrazole deriv. 4 | CHEMBL324942 |...)
Show SMILES O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
Show InChI InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Institute of Chemical Biology (CSIR)

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7127
PNG
(3-Benzamidoaminopyrazole deriv. 4 | CHEMBL324942 |...)
Show SMILES O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
Show InChI InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
MMDB

NCI pathway
KEGG

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

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 290n/an/an/an/a7.422



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)