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BDBM50329072 (3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-ylamino)phenyl)methanol::CHEMBL1269964

SMILES: CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12

InChI Key: InChIKey=KFNNEFIVNZLLBN-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329072   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50329072
PNG
((3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-...)
Show SMILES CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 232n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
BindingDB Entry DOI: 10.7270/Q2QR4XCB
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50329072
PNG
((3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-...)
Show SMILES CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
PDB
MMDB

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 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
BindingDB Entry DOI: 10.7270/Q2QR4XCB
More data for this
Ligand-Target Pair