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BDBM6436 3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}-1,3-thiazol-2-yl)amino]propan-1-ol::3-{[5-[6-((3-Chlorophenyl)amino)pyrazin-2-yl]thiazol-2-yl]amino}propan-1-ol::pyrazine-thiazol deriv.59

SMILES: OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1

InChI Key: InChIKey=UJWGPYCAVBVVHJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 6436   
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
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6436
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}-1,3-...)
Show SMILES OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H16ClN5OS/c17-11-3-1-4-12(7-11)21-15-10-18-8-13(22-15)14-9-20-16(24-14)19-5-2-6-23/h1,3-4,7-10,23H,2,5-6H2,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 708n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6436
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}-1,3-...)
Show SMILES OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H16ClN5OS/c17-11-3-1-4-12(7-11)21-15-10-18-8-13(22-15)14-9-20-16(24-14)19-5-2-6-23/h1,3-4,7-10,23H,2,5-6H2,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.08E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair