new BindingDB logo
myBDB logout

BDBM50314344 4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)benzamide::CHEMBL1092754

SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO

InChI Key: InChIKey=YDELNSXADYPQGS-BKUYFWCQSA-N

Data: 21 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 21 hits for monomerid = 50314344   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN A


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cMet


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.71E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.22E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair