BindingDB logo
myBDB logout

BDBM6063 3-[3-(5-{[3-(methylamino)pyrrolidin-1-yl]carbonyl}thiophen-2-yl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]-1-morpholin-4-ylurea::C3 thienylamide indenopyrazole 10l

SMILES: CNC1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12

InChI Key: InChIKey=KEKLTEIVXIIFTA-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 = 6063   
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))
BDBM6063
PNG
(3-[3-(5-{[3-(methylamino)pyrrolidin-1-yl]carbonyl}...)
Show SMILES CNC1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C25H27N7O4S/c1-26-14-7-8-31(13-14)24(34)18-6-5-17(37-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)33)27-25(35)30-32-9-11-36-12-10-32/h2-6,14,26H,7-13H2,1H3,(H,28,29)(H2,27,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6063
PNG
(3-[3-(5-{[3-(methylamino)pyrrolidin-1-yl]carbonyl}...)
Show SMILES CNC1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C25H27N7O4S/c1-26-14-7-8-31(13-14)24(34)18-6-5-17(37-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)33)27-25(35)30-32-9-11-36-12-10-32/h2-6,14,26H,7-13H2,1H3,(H,28,29)(H2,27,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair