BindingDB logo
myBDB logout

BDBM50210284 CHEMBL374690::N,N-dimethyl-2-(3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazol-6-yloxy)acetamide

SMILES: CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1

InChI Key: InChIKey=JXRNOMQKAQYKAL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50210284   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair