Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   

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
Probable nicotinate-nucleotide adenylyltransferase   (189/189 = 100%)† (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.00E+3	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase   (189/189 = 100%)† (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase   (189/189 = 100%)† (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase   (189/189 = 100%)† (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase   (189/189 = 100%)† (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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