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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 = 'BDBM50402530'   
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))
BDBM50402530
PNG
(CHEMBL2204805)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-34-22-11-7-19(8-12-22)15-17-28(18-16-24(29)27-31)35(32,33)23-13-9-21(10-14-23)26-25(30)20-5-3-2-4-6-20/h2-14,31H,15-18H2,1H3,(H,26,30)(H,27,29)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 410n/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