null

SMILES: CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1

InChI Key: InChIKey=IQJOJBWASQLVFF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 70398   

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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70398 (6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...) Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26| Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70398 (6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...) Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26| Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM70398 (6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...) Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26| Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.43E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM70398 (6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...) Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26| Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM70398 (6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...) Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26| Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair