BDBM47443 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione::1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]pyrrole-2,5-dione::1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrole-2,5-dione::1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-3-pyrroline-2,5-quinone::1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]pyrrole-2,5-dione::MLS000692082::SMR000333762::cid_1486292

SMILES: FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1

InChI Key: InChIKey=XRJVXAMPYWOKBH-UHFFFAOYSA-N

Data: 12 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 13 hits for monomerid = 47443   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.76E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+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 (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.20E+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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.66E+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 (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.59E+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 (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.23E+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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FT8JMN
					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+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 (2011) BindingDB Entry DOI: 10.7270/Q2V12389
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.54E+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 (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.48E+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 (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.13E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.94E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM47443 (1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...) Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14| Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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 (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair