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BDBM50304865 CHEMBL607429::N-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)methanesulfonamide

SMILES: Cn1c(c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C)-c1ccc2nccnc2c1

InChI Key: InChIKey=YXZXTOAUUFWDRG-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50304865   
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304865
PNG
(CHEMBL607429 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)
Show SMILES Cn1c(c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304865
PNG
(CHEMBL607429 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)
Show SMILES Cn1c(c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of TGFR-1 in human HepG2 cells expressing PAI-luciferase by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair