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BDBM50011555 CHEMBL3262574::US9592235, Example 162

SMILES: Cc1cccc(c1)-c1ccc2ncnc(N)c2c1

InChI Key: InChIKey=AOGXVQICAQYRPH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50011555   
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))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162 | US9855269...)
Show SMILES Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 423n/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))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162 | US9855269...)
Show SMILES Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 415n/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))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162 | US9855269...)
Show SMILES Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 415n/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