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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bone morphogenetic protein 1' and Ligand = 'BDBM50402517'   
Target/Host
(Institution)
LigandTarget/Host
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402517
PNG
(CHEMBL2204084)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H32N4O6S/c1-41-28-16-12-24(13-17-28)20-22-34(23-21-30(36)33-38)42(39,40)29-18-14-25(15-19-29)32-31(37)35(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-19,38H,20-23H2,1H3,(H,32,37)(H,33,36)
PDB
MMDB

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Article
PubMed
n/an/a 780n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair