BDBM34334 MLS000055225::N-[1,3-benzothiazol-2-yl(phenyl)phosphoryl]-1,3-thiazol-2-amine::N-[1,3-benzothiazol-2-yl(phenyl)phosphoryl]-2-thiazolamine::SMR000065625::[1,3-benzothiazol-2-yl(phenyl)phosphoryl]-thiazol-2-yl-amine::cid_2311082

SMILES: O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1

InChI Key: InChIKey=YXBYBXICJONGGY-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 34334   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair
MPI protein (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
diphosphomevalonate decarboxylase (Streptococcus pneumoniae D39)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N014XN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>4.98E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2XD102D
					More data for this Ligand-Target Pair
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.55E+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: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
hexokinase (Trypanosoma brucei)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2N29VCW
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	827	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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25T3HXW
					More data for this Ligand-Target Pair
phosphomannomutase 2 (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q2CJ8BWC
					More data for this Ligand-Target Pair
MPI protein (Homo sapiens (Human))	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	270	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/Q2J964TC
					More data for this Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (Mycobacterium tuberculosis H37Rv)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair