Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.2 BDBM63187Purchase

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

Found 5 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM63187 (4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl...) Show SMILES COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1 Show InChI InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.51E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM63187 (4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl...) Show SMILES COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1 Show InChI InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.51E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM63187 (4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl...) Show SMILES COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1 Show InChI InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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
Heat shock factor protein 1 (Mus musculus)	BDBM63187 (4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl...) Show SMILES COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1 Show InChI InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.11E+3	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
Serine/threonine-protein kinase 33 (Homo sapiens (Human))	BDBM63187 (4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl...) Show SMILES COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1 Show InChI InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B27SRF
					More data for this Ligand-Target Pair