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PDB code 3GXL

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type I

  (303/303 = 100%)
(Homo sapiens)
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I

  (303/303 = 100%)
(Homo sapiens)
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output