Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 297.7 BDBM67818

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 3 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.36E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV
					More data for this Ligand-Target Pair
Tegument protein VP16 (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.36E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.38E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q28914F2
					More data for this Ligand-Target Pair