BDBM61654 3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid::MLS001083062::SMR000664889::cid_5733585

SMILES: COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC

InChI Key: InChIKey=LALCDJCLSWCKCF-UNOMPAQXSA-N

Data: 9 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 9 hits for monomerid = 61654   

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
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	564	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 (2010) BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028PZ5
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	607	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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F47MKR
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.20E+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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27S7M6H
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.77E+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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.59E+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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M9073J
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2 (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.88E+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 (2010) BindingDB Entry DOI: 10.7270/Q28G8J5T
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.39E+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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61654 (3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-	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 (2010) BindingDB Entry DOI: 10.7270/Q2QZ28FP
					More data for this Ligand-Target Pair