Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.7 BDBM54200Purchase

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

Found 7 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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.64E+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/Q25M6443
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.21E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Replicase polyprotein 1ab (2019-nCoV)	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54200 (2-chloranyl-N-(2,5-diphenylpyrazol-3-yl)ethanamide...) Show SMILES ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.71E+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