BDBM113761 DGJ-BnT

SMILES: OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)NCc1ccccc1

InChI Key: InChIKey=OSTTYOKHHAHMQO-MROQNXINSA-N

Data: 2 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 2 hits for monomerid = 113761   

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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113761 (DGJ-BnT) Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)NCc1ccccc1 |r| Show InChI InChI=1S/C14H20N2O4S/c17-8-10-12(19)13(20)11(18)7-16(10)14(21)15-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,21)/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.41E+3	n/a	n/a	n/a	n/a	7.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113761 (DGJ-BnT) Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)NCc1ccccc1 |r| Show InChI InChI=1S/C14H20N2O4S/c17-8-10-12(19)13(20)11(18)7-16(10)14(21)15-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,21)/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	5.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair