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BDBM50011560 CHEMBL3262579::US9592235, Example 187

SMILES: Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1

InChI Key: InChIKey=HJYHRWWDRGRZGA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50011560   
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
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011560
PNG
(CHEMBL3262579 | US9592235, Example 187 | US9855269...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011560
PNG
(CHEMBL3262579 | US9592235, Example 187 | US9855269...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 84n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research





J Med Chem 46: 3709-27 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011560
PNG
(CHEMBL3262579 | US9592235, Example 187 | US9855269...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 84n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair