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BDBM50194004 CHEMBL218746::N-((S)-1-(4-chlorophenyl)ethyl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)pyrimidin-4-amine

SMILES: C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccc(Cl)cc1

InChI Key: InChIKey=YHZMGOWCNDVVNF-LBPRGKRZSA-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 = 50194004   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194004
PNG
(CHEMBL218746 | N-((S)-1-(4-chlorophenyl)ethyl)-2-(...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN6/c1-12(13-2-4-14(19)5-3-13)23-17-7-9-21-18(24-17)25-11-22-15-6-8-20-10-16(15)25/h2-12H,1H3,(H,21,23,24)/t12-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194004
PNG
(CHEMBL218746 | N-((S)-1-(4-chlorophenyl)ethyl)-2-(...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN6/c1-12(13-2-4-14(19)5-3-13)23-17-7-9-21-18(24-17)25-11-22-15-6-8-20-10-16(15)25/h2-12H,1H3,(H,21,23,24)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair