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BDBM50168398 2,4-Difluoro-5-[5-isopropyl-6-(5-methanesulfonylmethyl-[1,3,4]oxadiazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide::CHEMBL195398

SMILES: CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F

InChI Key: InChIKey=PLKAJXMYXBXIGX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50168398   
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


(Homo sapiens (Human))
BDBM50168398
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methanesulfonylme...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C21H21F2N7O5S/c1-10(2)17-12(21-28-27-16(35-21)8-36(4,32)33)7-30-18(17)19(24-9-25-30)26-15-5-11(20(31)29-34-3)13(22)6-14(15)23/h5-7,9-10H,8H2,1-4H3,(H,29,31)(H,24,25,26)
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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168398
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methanesulfonylme...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C21H21F2N7O5S/c1-10(2)17-12(21-28-27-16(35-21)8-36(4,32)33)7-30-18(17)19(24-9-25-30)26-15-5-11(20(31)29-34-3)13(22)6-14(15)23/h5-7,9-10H,8H2,1-4H3,(H,29,31)(H,24,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50168398
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methanesulfonylme...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C21H21F2N7O5S/c1-10(2)17-12(21-28-27-16(35-21)8-36(4,32)33)7-30-18(17)19(24-9-25-30)26-15-5-11(20(31)29-34-3)13(22)6-14(15)23/h5-7,9-10H,8H2,1-4H3,(H,29,31)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast growth factor receptor 1


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50168398
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methanesulfonylme...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C21H21F2N7O5S/c1-10(2)17-12(21-28-27-16(35-21)8-36(4,32)33)7-30-18(17)19(24-9-25-30)26-15-5-11(20(31)29-34-3)13(22)6-14(15)23/h5-7,9-10H,8H2,1-4H3,(H,29,31)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferation


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair