BDBM50303406 2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide::CHEMBL571296::cid_2514971

SMILES: Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O

InChI Key: InChIKey=NRLUONFWDLIFKS-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 = 50303406   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7 (Homo sapiens (Human))	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.43E+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 (2008) BindingDB Entry DOI: 10.7270/Q2RJ4GWX
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometry				J Med Chem 53: 37-51 (2010) Article DOI: 10.1021/jm901070c BindingDB Entry DOI: 10.7270/Q2ZP466W
					More data for this Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (Homo sapiens (Human))	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.77E+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 (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screening				J Med Chem 53: 37-51 (2010) Article DOI: 10.1021/jm901070c BindingDB Entry DOI: 10.7270/Q2ZP466W
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50303406 (2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...) Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW
					More data for this Ligand-Target Pair