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BDBM6940 N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]carbamoyl}amino)ethanediamide::acylsemicarbazide deriv. 3ab

SMILES: COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)C(N)=O)c3C(=O)c12

InChI Key: InChIKey=OHWPDVAULRWCCH-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 6940   
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))
BDBM6940
PNG
(N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-indeno[1,2-c]...)
Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C20H16N6O5/c1-31-10-7-5-9(6-8-10)15-14-16(24-23-15)11-3-2-4-12(13(11)17(14)27)22-20(30)26-25-19(29)18(21)28/h2-8H,1H3,(H2,21,28)(H,23,24)(H,25,29)(H2,22,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



DuPont Pharmaceuticals Company



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


Bioorg Med Chem Lett 14: 5489-91 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.023
BindingDB Entry DOI: 10.7270/Q2SX6BDV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6940
PNG
(N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-indeno[1,2-c]...)
Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C20H16N6O5/c1-31-10-7-5-9(6-8-10)15-14-16(24-23-15)11-3-2-4-12(13(11)17(14)27)22-20(30)26-25-19(29)18(21)28/h2-8H,1H3,(H2,21,28)(H,23,24)(H,25,29)(H2,22,26,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 97n/an/an/an/an/an/a



DuPont Pharmaceuticals Company



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


Bioorg Med Chem Lett 14: 5489-91 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.023
BindingDB Entry DOI: 10.7270/Q2SX6BDV
More data for this
Ligand-Target Pair