Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'donovan' and Initial = 'c'   

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
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168499 ((1-((1H-tetrazol-5-yl)methyl)cycloheptyl)methanami...) Show SMILES NCC1(Cc2nnn[nH]2)CCCCCC1 Show InChI InChI=1S/C10H19N5/c11-8-10(5-3-1-2-4-6-10)7-9-12-14-15-13-9/h1-8,11H2,(H,12,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50212317 ((1-((1H-tetrazol-5-yl)methyl)cyclohexyl)methanamin...) Show SMILES NCC1(Cc2nnn[nH]2)CCCCC1 Show InChI InChI=1S/C9H17N5/c10-7-9(4-2-1-3-5-9)6-8-11-13-14-12-8/h1-7,10H2,(H,11,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human))	BDBM50098785 (4-Benzhydryloxymethyl-1-[3-(4-methoxy-phenyl)-prop...) Show SMILES COc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of human T-cells voltage-gated potassium channel subunit Kv1.3				Bioorg Med Chem Lett 7: 1047-1052 (1997) Article DOI: 10.1016/S0960-894X(97)00163-7 BindingDB Entry DOI: 10.7270/Q2NC616P
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168498 ((S)-2-((1H-tetrazol-5-yl)methyl)-4-methylpentan-1-...) Show SMILES CC(C)C[C@H](CN)Cc1nnn[nH]1 Show InChI InChI=1S/C8H17N5/c1-6(2)3-7(5-9)4-8-10-12-13-11-8/h6-7H,3-5,9H2,1-2H3,(H,10,11,12,13)/t7-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168502 ((1-((1H-tetrazol-5-yl)methyl)cyclooctyl)methanamin...) Show SMILES NCC1(Cc2nnn[nH]2)CCCCCCC1 Show InChI InChI=1S/C11H21N5/c12-9-11(8-10-13-15-16-14-10)6-4-2-1-3-5-7-11/h1-9,12H2,(H,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82156 (7-substituted pyrazoloquinolone, 15) Show SMILES CC(C)Sc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C14H13N3O3S/c1-7(2)21-8-3-4-10-9(5-8)13(18)17-12(15-10)6-11(16-17)14(19)20/h3-7,16H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82152 (7-substituted pyrazoloquinolone, 11) Show SMILES OC(=O)c1cc2nc3ccc(I)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6IN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Rattus norvegicus)	BDBM50168499 ((1-((1H-tetrazol-5-yl)methyl)cycloheptyl)methanami...) Show SMILES NCC1(Cc2nnn[nH]2)CCCCCC1 Show InChI InChI=1S/C10H19N5/c11-8-10(5-3-1-2-4-6-10)7-9-12-14-15-13-9/h1-8,11H2,(H,12,13,14,15)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82151 (7-substituted pyrazoloquinolone, 10) Show SMILES OC(=O)c1cc2nc3ccc(Br)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6BrN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82157 (7-substituted pyrazoloquinolone, 16) Show SMILES CN(C)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C13H12N4O3/c1-16(2)7-3-4-9-8(5-7)12(18)17-11(14-9)6-10(15-17)13(19)20/h3-6,15H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82153 (7-substituted pyrazoloquinolone, 12) Show SMILES CSc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O3S/c1-19-6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Rattus norvegicus)	BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168503 ((1-(aminomethyl)cyclohexyl)methanesulfonic acid | ...) Show SMILES NCC1(CS(O)(=O)=O)CCCCC1 Show InChI InChI=1S/C8H17NO3S/c9-6-8(7-13(10,11)12)4-2-1-3-5-8/h1-7,9H2,(H,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168504 ((1-((1-methyl-1H-tetrazol-5-yl)methyl)cyclohexyl)m...) Show SMILES Cn1nnnc1CC1(CN)CCCCC1 Show InChI InChI=1S/C10H19N5/c1-15-9(12-13-14-15)7-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50168500 ((1-(aminomethyl)cyclohexyl)methanesulfinic acid | ...) Show SMILES NCC1(CS(O)=O)CCCCC1 Show InChI InChI=1S/C8H17NO2S/c9-6-8(7-12(10)11)4-2-1-3-5-8/h1-7,9H2,(H,10,11)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit (Sus scrofa)	BDBM50370711 (CHEMBL553199) Show SMILES NCC1(CP(O)=O)CCCCC1 Show InChI InChI=1S/C8H18NO2P/c9-6-8(7-12(10)11)4-2-1-3-5-8/h12H,1-7,9H2,(H,10,11)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane				Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82152 (7-substituted pyrazoloquinolone, 11) Show SMILES OC(=O)c1cc2nc3ccc(I)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6IN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82153 (7-substituted pyrazoloquinolone, 12) Show SMILES CSc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O3S/c1-19-6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82156 (7-substituted pyrazoloquinolone, 15) Show SMILES CC(C)Sc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C14H13N3O3S/c1-7(2)21-8-3-4-10-9(5-8)13(18)17-12(15-10)6-11(16-17)14(19)20/h3-7,16H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82160 (6-substituted pyrazoloquinolone, 19) Show SMILES Cc1ccc2c(c1)nc1cc([nH]n1c2=O)C(O)=O Show InChI InChI=1S/C12H9N3O3/c1-6-2-3-7-8(4-6)13-10-5-9(12(17)18)14-15(10)11(7)16/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82149 (7-substituted pyrazoloquinolone, 8) Show SMILES OC(=O)c1cc2nc3ccc(Cl)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6ClN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82154 (7-substituted pyrazoloquinolone, 13) Show SMILES CS(=O)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O4S/c1-20(19)6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82151 (7-substituted pyrazoloquinolone, 10) Show SMILES OC(=O)c1cc2nc3ccc(Br)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6BrN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82164 (6-substituted pyrazoloquinolone, 23) Show SMILES OC(=O)c1cc2nc3cc(Cl)ccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6ClN3O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82157 (7-substituted pyrazoloquinolone, 16) Show SMILES CN(C)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C13H12N4O3/c1-16(2)7-3-4-9-8(5-7)12(18)17-11(14-9)6-10(15-17)13(19)20/h3-6,15H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82161 (6-substituted pyrazoloquinolone, 20) Show SMILES OC(=O)c1cc2nc3cc(ccc3c(=O)n2[nH]1)C(F)(F)F Show InChI InChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-6-7(3-5)16-9-4-8(11(20)21)17-18(9)10(6)19/h1-4,17H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82153 (7-substituted pyrazoloquinolone, 12) Show SMILES CSc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O3S/c1-19-6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82149 (7-substituted pyrazoloquinolone, 8) Show SMILES OC(=O)c1cc2nc3ccc(Cl)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6ClN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82155 (7-substituted pyrazoloquinolone, 14) Show SMILES CS(=O)(=O)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O5S/c1-21(19,20)6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82164 (6-substituted pyrazoloquinolone, 23) Show SMILES OC(=O)c1cc2nc3cc(Cl)ccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6ClN3O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82162 (6-substituted pyrazoloquinolone, 21) Show SMILES Nc1ccc2c(c1)nc1cc([nH]n1c2=O)C(O)=O Show InChI InChI=1S/C11H8N4O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,12H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82150 (7-substituted pyrazoloquinolone, 9) Show SMILES OC(=O)c1cc2nc3ccc(F)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6FN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82165 (3-substituted pyrazoloquinolone, 24) Show SMILES Cc1c([nH]n2c1nc1cc(Cl)ccc1c2=O)C(O)=O Show InChI InChI=1S/C12H8ClN3O3/c1-5-9(12(18)19)15-16-10(5)14-8-4-6(13)2-3-7(8)11(16)17/h2-4,15H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82162 (6-substituted pyrazoloquinolone, 21) Show SMILES Nc1ccc2c(c1)nc1cc([nH]n1c2=O)C(O)=O Show InChI InChI=1S/C11H8N4O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,12H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82163 (6-substituted pyrazoloquinolone, 22) Show SMILES OC(=O)c1cc2nc3cc(Br)ccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6BrN3O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82163 (6-substituted pyrazoloquinolone, 22) Show SMILES OC(=O)c1cc2nc3cc(Br)ccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6BrN3O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82152 (7-substituted pyrazoloquinolone, 11) Show SMILES OC(=O)c1cc2nc3ccc(I)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6IN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82158 (7-substituted pyrazoloquinolone, 17) Show SMILES COc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O4/c1-19-6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82157 (7-substituted pyrazoloquinolone, 16) Show SMILES CN(C)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C13H12N4O3/c1-16(2)7-3-4-9-8(5-7)12(18)17-11(14-9)6-10(15-17)13(19)20/h3-6,15H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82159 (4-substituted pyrazoloquinolone, 18) Show SMILES Cn1c2cc(nn2c(=O)c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C12H8ClN3O3/c1-15-9-3-2-6(13)4-7(9)11(17)16-10(15)5-8(14-16)12(18)19/h2-5H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82154 (7-substituted pyrazoloquinolone, 13) Show SMILES CS(=O)c1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O4S/c1-20(19)6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82161 (6-substituted pyrazoloquinolone, 20) Show SMILES OC(=O)c1cc2nc3cc(ccc3c(=O)n2[nH]1)C(F)(F)F Show InChI InChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-6-7(3-5)16-9-4-8(11(20)21)17-18(9)10(6)19/h1-4,17H,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82160 (6-substituted pyrazoloquinolone, 19) Show SMILES Cc1ccc2c(c1)nc1cc([nH]n1c2=O)C(O)=O Show InChI InChI=1S/C12H9N3O3/c1-6-2-3-7-8(4-6)13-10-5-9(12(17)18)14-15(10)11(7)16/h2-5,14H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82163 (6-substituted pyrazoloquinolone, 22) Show SMILES OC(=O)c1cc2nc3cc(Br)ccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6BrN3O3/c12-5-1-2-6-7(3-5)13-9-4-8(11(17)18)14-15(9)10(6)16/h1-4,14H,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82165 (3-substituted pyrazoloquinolone, 24) Show SMILES Cc1c([nH]n2c1nc1cc(Cl)ccc1c2=O)C(O)=O Show InChI InChI=1S/C12H8ClN3O3/c1-5-9(12(18)19)15-16-10(5)14-8-4-6(13)2-3-7(8)11(16)17/h2-4,15H,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82158 (7-substituted pyrazoloquinolone, 17) Show SMILES COc1ccc2nc3cc([nH]n3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C12H9N3O4/c1-19-6-2-3-8-7(4-6)11(16)15-10(13-8)5-9(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82147 (7-substituted pyrazoloquinolone, 6) Show SMILES OC(=O)c1cc2nc3ccccc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H7N3O3/c15-10-6-3-1-2-4-7(6)12-9-5-8(11(16)17)13-14(9)10/h1-5,13H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Enterococcus faecalis (Streptococcus faecalis))	BDBM82150 (7-substituted pyrazoloquinolone, 9) Show SMILES OC(=O)c1cc2nc3ccc(F)cc3c(=O)n2[nH]1 Show InChI InChI=1S/C11H6FN3O3/c12-5-1-2-7-6(3-5)10(16)15-9(13-7)4-8(14-15)11(17)18/h1-4,14H,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable con...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair
Phosphopantetheine adenylyltransferase (Escherichia coli)	BDBM82161 (6-substituted pyrazoloquinolone, 20) Show SMILES OC(=O)c1cc2nc3cc(ccc3c(=O)n2[nH]1)C(F)(F)F Show InChI InChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-6-7(3-5)16-9-4-8(11(20)21)17-18(9)10(6)19/h1-4,17H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc.					Assay Description The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test comp...				Chem Biol Drug Des 75: 444-54 (2010) Article DOI: 10.1111/j.1747-0285.2010.00957.x BindingDB Entry DOI: 10.7270/Q2765CT2
					More data for this Ligand-Target Pair

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