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BDBM50238821 CHEMBL4088057

SMILES: CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccnc(NC(=O)C=C)c3)c2n1

InChI Key: InChIKey=KJOLPDSSWBMMCH-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 2 hits for monomerid = 50238821   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238821
PNG
(CHEMBL4088057)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccnc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-10-15(6-8-29-21)7-9-33-24-16(14-30-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-6,8,10-14H,1,7,9H2,2-4H3,(H,28,30,32)(H,29,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238821
PNG
(CHEMBL4088057)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccnc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-10-15(6-8-29-21)7-9-33-24-16(14-30-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-6,8,10-14H,1,7,9H2,2-4H3,(H,28,30,32)(H,29,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair