BDBM50402522 CHEMBL2204814

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

InChI Key: InChIKey=XCPNXHGEZRNITK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402522   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50402522 (CHEMBL2204814) Show SMILES COc1ccc(CCN(CCS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H23NO5S3/c1-24-16-5-3-15(4-6-16)11-12-19(13-14-25)27(22,23)18-9-7-17(8-10-18)26(2,20)21/h3-10,25H,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/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