BDBM50134035 BENZYL BENZOATE::CHEMBL1239

SMILES: O=C(OCc1ccccc1)c1ccccc1

InChI Key: InChIKey=SESFRYSPDFLNCH-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 2 PDB IDs match this monomer.

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 5 hits for monomerid = 50134035   

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
Hormone-sensitive lipase (HSL) (Rattus norvegicus (Rat))	BDBM50134035 (BENZYL BENZOATE | CHEMBL1239) Show SMILES O=C(OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan Curated by ChEMBL					Assay Description Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay				J Med Chem 51: 6478-94 (2008) Article DOI: 10.1021/jm800718k BindingDB Entry DOI: 10.7270/Q23778KJ
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50134035 (BENZYL BENZOATE | CHEMBL1239) Show SMILES O=C(OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Chymotrypsinogen				J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C
					More data for this Ligand-Target Pair
Type-1A angiotensin II receptor (Mus musculus)	BDBM50134035 (BENZYL BENZOATE | CHEMBL1239) Show SMILES O=C(OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Antagonist activity at HA-tagged mouse AT1a angiotensin 2 receptor expressed in HEK293T cells assessed as decrease in angiotensin 2-induced intracell...				Bioorg Med Chem 16: 7843-52 (2008) Article DOI: 10.1016/j.bmc.2008.03.056 BindingDB Entry DOI: 10.7270/Q2TT4TQ6
					More data for this Ligand-Target Pair
Malate dehydrogenase cytoplasmic (Homo sapiens (Human))	BDBM50134035 (BENZYL BENZOATE | CHEMBL1239) Show SMILES O=C(OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of malate dehydrogenase (MDH)				J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50134035 (BENZYL BENZOATE | CHEMBL1239) Show SMILES O=C(OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Compound was tested for the inhibition of beta-lactamase				J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C
					More data for this Ligand-Target Pair