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BDBM6378 8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one::8-cyclopentyl-5,6-dimethyl-2-{[4-(piperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one::pyrido[2,3-d]pyrimidin-7-one 25

SMILES: Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12

InChI Key: InChIKey=BTIKBNRXWBVMSS-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 6378   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6378
PNG
(8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phe...)
Show SMILES Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6378
PNG
(8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phe...)
Show SMILES Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6378
PNG
(8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phe...)
Show SMILES Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair