Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 302.7 BDBM63255Purchase

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

Found 4 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM63255 (4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid [...) Show SMILES Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9| Show InChI InChI=1S/C15H15ClN4O/c16-12-7-3-1-5-10(12)9-17-20-15(21)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,9H,2,4,6,8H2,(H,18,19)(H,20,21)/b17-9+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	610	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)	BDBM63255 (4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid [...) Show SMILES Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9| Show InChI InChI=1S/C15H15ClN4O/c16-12-7-3-1-5-10(12)9-17-20-15(21)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,9H,2,4,6,8H2,(H,18,19)(H,20,21)/b17-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.60E+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: 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)	BDBM63255 (4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid [...) Show SMILES Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9| Show InChI InChI=1S/C15H15ClN4O/c16-12-7-3-1-5-10(12)9-17-20-15(21)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,9H,2,4,6,8H2,(H,18,19)(H,20,21)/b17-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.60E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM63255 (4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid [...) Show SMILES Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9| Show InChI InChI=1S/C15H15ClN4O/c16-12-7-3-1-5-10(12)9-17-20-15(21)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,9H,2,4,6,8H2,(H,18,19)(H,20,21)/b17-9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair