BDBM50312 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester::MLS000720339::SMR000236235::cid_7110073::methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate::methyl 2-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylate

SMILES: COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1

InChI Key: InChIKey=HSJGHXJDAJQGPF-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50312   

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))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.80E+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
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.92E+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 (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	666	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/Q25M6443
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	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	429	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/Q2Z899VD
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	230	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/Q2PR7TDC
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM50312 (2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...) Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)	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	n/a	n/a	3.03E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair