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SMILES: COc1ccc(CCN(CCC(=O)CS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1

InChI Key: InChIKey=FLRANWWYYFQVHM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402525   
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))		BDBM50402525
PNG
(CHEMBL2204811)
Show SMILES COc1ccc(CCN(CCC(=O)CS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H25NO6S3/c1-27-18-5-3-16(4-6-18)11-13-21(14-12-17(22)15-28)30(25,26)20-9-7-19(8-10-20)29(2,23)24/h3-10,28H,11-15H2,1-2H3
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MMDB

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n/an/a 1.30E+4n/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