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BDBM5638 3-(3-Methylthien-2-yl)-5-(acetamido)indeno[1,2-c]pyrazol-4-one::Indenopyrazole 13u::N-[3-(3-methylthiophen-2-yl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]acetamide

SMILES: CC(=O)Nc1cccc2-c3n[nH]c(-c4sccc4C)c3C(=O)c12

InChI Key: InChIKey=FGMFUNRHGWNTBG-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 = 5638   
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))
BDBM5638
PNG
(3-(3-Methylthien-2-yl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(-c4sccc4C)c3C(=O)c12
Show InChI InChI=1S/C17H13N3O2S/c1-8-6-7-23-17(8)15-13-14(19-20-15)10-4-3-5-11(18-9(2)21)12(10)16(13)22/h3-7H,1-2H3,(H,18,21)(H,19,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 260n/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: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM5638
PNG
(3-(3-Methylthien-2-yl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(-c4sccc4C)c3C(=O)c12
Show InChI InChI=1S/C17H13N3O2S/c1-8-6-7-23-17(8)15-13-14(19-20-15)10-4-3-5-11(18-9(2)21)12(10)16(13)22/h3-7H,1-2H3,(H,18,21)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.10E+3n/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: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair