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BDBM6051 3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea::C3 heterocyle indenopyrazole 8q

SMILES: CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12

InChI Key: InChIKey=KRKQVGZXTNLQSV-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 = 6051   
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))
BDBM6051
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
PDB

UniProtKB/SwissProt

GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 8n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6051
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair