BDBM50379839 CHEMBL2011751

SMILES: Oc1ccc(C[C@H]2[C@H](N(C(=O)Oc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=FKCAMQRUDSXPPI-VMPREFPWSA-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 = 50379839   

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
Prostate specific antigen (Homo sapiens (Human))	BDBM50379839 (CHEMBL2011751) Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Oc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H27NO8/c35-26-16-14-22(15-17-26)18-28-29(32(38)41-21-24-10-5-2-6-11-24)34(30(28)36)33(39)42-27-13-7-12-25(19-27)31(37)40-20-23-8-3-1-4-9-23/h1-17,19,28-29,35H,18,20-21H2/t28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human kallikrein 3				Bioorg Med Chem Lett 22: 2450-5 (2012) Article DOI: 10.1016/j.bmcl.2012.02.014 BindingDB Entry DOI: 10.7270/Q21G0N9N
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