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BDBM5634 2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl}acetamide::3-Cyclohexyl-5-(4-(aminomethyl)piperidinoacetamido)indeno[1,2-c]pyrazol-4-one::Indenopyrazole 13q

SMILES: NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1

InChI Key: InChIKey=AITZHKQVQNLKHI-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 = 5634   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM5634
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1016/j.bmcl.2006.12.074
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM5634
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1016/j.bmcl.2006.12.074
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair