BDBM50199883 3,4‐Dichloroisocoumarin (2)::3,4-Dichloro-isochromen-1-one::3,4-dichloro-1H-isochromen-1-one::3,4-dichloroisocoumarin::CHEMBL24983::cid_1609

SMILES: Clc1oc(=O)c2ccccc2c1Cl

InChI Key: InChIKey=SUGXUUGGLDCZKB-UHFFFAOYSA-N

Data: 19 IC50

PDB links: 1 PDB ID matches 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 19 hits for monomerid = 50199883   

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
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c)	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JQ0ZH4
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Duesseldorf Curated by ChEMBL					Assay Description Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preincubated for 30 mins followed by substrate addition measured after 50 t...				Bioorg Med Chem Lett 28: 1417-1422 (2018) Article DOI: 10.1016/j.bmcl.2018.02.017 BindingDB Entry DOI: 10.7270/Q2HX1G8B
					More data for this Ligand-Target Pair
Rhomboid protease (AfROM) (Archaeoglobus fulgidus (AfROM))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (PhROM) (Pyrococcus horikoshii (Euryarchaeotes))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (TmROM) (Thermotoga maritima (Thermotogales))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (VcROM) (Vibrio cholerae (g-Proteobacteria))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (PsAarA) (Providencia stuartii (Enterobacteria))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (EcGlpG) (Escherichia coli (Enterobacteria))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (HiGlpG) (Haemophilus influenzae (g-Proteobacteria))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (BsYqgP) (Bacillus subtilis (Firmicutes))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (MmRHBDL1) (Mus musculus (Mouse))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (MmRHBDL3) (Mus musculus (Mouse))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase using [14C]GS7340 substrate				Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate				Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair
Elastase 2A (Rattus norvegicus)	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair
Cathepsin A (CTSA) (Homo sapiens (Human))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CatA using [14C]GS7340 substrate				Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5
					More data for this Ligand-Target Pair
Rhomboid protease (AaROM) (Aquifex aeolicus (Aquificales))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair