BDBM88813 Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hydroxy-3-methoxy-benzylidene)-hydrazide::MLS001207260::N'-[(E)-(3-chloranyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1,3-benzodioxole-5-carbohydrazide::N'-[(E)-(3-chloro-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1,3-benzodioxole-5-carbohydrazide::N'-[(E)-(3-chloro-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,3-benzodioxole-5-carbohydrazide::N'-[(E)-(3-chloro-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-1,3-benzodioxole-5-carbohydrazide::SMR000515079::cid_5407575

SMILES: COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O

InChI Key: InChIKey=RYOLLVLXNYCIPC-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 88813   

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
Thrombin (Bos taurus (Bovine))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.56E+4	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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.73E+3	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, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.02E+3	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, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FQ9V6B
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.15E+4	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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.33E+4	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, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM88813 (Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...) Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9| Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.16E+3	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, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair