Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.3 BDBM71467

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

Found 3 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
Caspase-9 (Homo sapiens (Human))	BDBM71467 (5-Methyl-2H-pyrazole-3-carboxylic acid (5-hydroxy-...) Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9| Show InChI InChI=1S/C16H16N6O2/c1-10-8-14(19-18-10)15(23)20-17-9-13-11(2)21-22(16(13)24)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,18,19)(H,20,23)/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.19E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM71467 (5-Methyl-2H-pyrazole-3-carboxylic acid (5-hydroxy-...) Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9| Show InChI InChI=1S/C16H16N6O2/c1-10-8-14(19-18-10)15(23)20-17-9-13-11(2)21-22(16(13)24)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,18,19)(H,20,23)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.97E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM71467 (5-Methyl-2H-pyrazole-3-carboxylic acid (5-hydroxy-...) Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9| Show InChI InChI=1S/C16H16N6O2/c1-10-8-14(19-18-10)15(23)20-17-9-13-11(2)21-22(16(13)24)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,18,19)(H,20,23)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair