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SMILES: COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

InChI Key: InChIKey=OCLASTRUWMWJRA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402529   
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
Bone morphogenetic protein 1


(Homo sapiens (Human))		BDBM50402529
PNG
(CHEMBL2204806)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H27N3O7S2/c1-34-21-11-7-19(8-12-21)15-17-27(18-16-24(28)25-29)36(32,33)23-13-9-20(10-14-23)26-35(30,31)22-5-3-2-4-6-22/h2-14,26,29H,15-18H2,1H3,(H,25,28)
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n/an/a 470n/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