BDBM154527 2336 (17j)

SMILES: COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1

InChI Key: InChIKey=BIFMXJBRWDNSAA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 154527   

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
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM154527 (2336 (17j)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D (PldA) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154527 (2336 (17j)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D (PldA) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154527 (2336 (17j)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM154527 (2336 (17j)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair