Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'Multifunctional protein ADE2'   

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
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489199 (US10961233, Example 54) Show SMILES CN(C)CCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H25BrN6O4S/c1-23(2)9-10-30(27,28)25-7-5-24(6-8-25)13-3-4-14(19)15(11-13)21-17(26)16-12-29-18(20)22-16/h3-4,11-12H,5-10H2,1-2H3,(H2,20,22)(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489218 (US10961233, Example 74) Show SMILES CCNCCCS(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1NC(=O)c1coc(N)n1 Show InChI InChI=1S/C19H27ClN6O4S/c1-2-22-7-4-12-31(28,29)26-10-8-25(9-11-26)16-6-3-5-14(20)17(16)24-18(27)15-13-30-19(21)23-15/h3,5-6,13,22H,2,4,7-12H2,1H3,(H2,21,23)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489208 (US10961233, Example 63) Show SMILES CC(C)NCCS(=O)(=O)N1CCN(CC1)c1cccc(Br)c1NC(=O)c1coc(N)n1 Show InChI InChI=1S/C19H27BrN6O4S/c1-13(2)22-6-11-31(28,29)26-9-7-25(8-10-26)16-5-3-4-14(20)17(16)24-18(27)15-12-30-19(21)23-15/h3-5,12-13,22H,6-11H2,1-2H3,(H2,21,23)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489212 (US10961233, Example 67) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Br)N1CCN(CC1)S(=O)(=O)CCCN1CCCC1 Show InChI InChI=1S/C21H29BrN6O4S/c22-17-5-4-16(14-18(17)24-20(29)19-15-32-21(23)25-19)27-9-11-28(12-10-27)33(30,31)13-3-8-26-6-1-2-7-26/h4-5,14-15H,1-3,6-13H2,(H2,23,25)(H,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489223 (US10961233, Example 84) Show SMILES Nc1nc(co1)C(=O)Nc1c(Br)cccc1N1CCN(CC1)S(=O)(=O)C1CCNCC1 Show InChI InChI=1S/C19H25BrN6O4S/c20-14-2-1-3-16(17(14)24-18(27)15-12-30-19(21)23-15)25-8-10-26(11-9-25)31(28,29)13-4-6-22-7-5-13/h1-3,12-13,22H,4-11H2,(H2,21,23)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489224 (US10961233, Example 85) Show SMILES CN1CCC(CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H27BrN6O4S/c1-25-6-4-15(5-7-25)32(29,30)27-10-8-26(9-11-27)14-2-3-16(21)17(12-14)23-19(28)18-13-31-20(22)24-18/h2-3,12-13,15H,4-11H2,1H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489200 (US10961233, Example 55) Show SMILES CNCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C17H23BrN6O4S/c1-20-4-9-29(26,27)24-7-5-23(6-8-24)12-2-3-13(18)14(10-12)21-16(25)15-11-28-17(19)22-15/h2-3,10-11,20H,4-9H2,1H3,(H2,19,22)(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489221 (US10961233, Example 76) Show SMILES CC(C)NCCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H29BrN6O4S/c1-14(2)23-6-3-11-32(29,30)27-9-7-26(8-10-27)15-4-5-16(21)17(12-15)24-19(28)18-13-31-20(22)25-18/h4-5,12-14,23H,3,6-11H2,1-2H3,(H2,22,25)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489220 (US10961233, Example 75) Show SMILES CNCCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H25BrN6O4S/c1-21-5-2-10-30(27,28)25-8-6-24(7-9-25)13-3-4-14(19)15(11-13)22-17(26)16-12-29-18(20)23-16/h3-4,11-12,21H,2,5-10H2,1H3,(H2,20,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489216 (US10961233, Example 72) Show SMILES CC(C)NCCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H29ClN6O4S/c1-14(2)23-6-3-11-32(29,30)27-9-7-26(8-10-27)15-4-5-16(21)17(12-15)24-19(28)18-13-31-20(22)25-18/h4-5,12-14,23H,3,6-11H2,1-2H3,(H2,22,25)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489214 (US10961233, Example 69) Show SMILES CN(C)CCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489215 (US10961233, Example 70) Show SMILES CCNCCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H27BrN6O4S/c1-2-22-6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)23-18(27)17-13-30-19(21)24-17/h4-5,12-13,22H,2-3,6-11H2,1H3,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489209 (US10961233, Example 64) Show SMILES CN1CCC(CC1)NCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C22H32BrN7O4S/c1-28-7-4-16(5-8-28)25-6-13-35(32,33)30-11-9-29(10-12-30)17-2-3-18(23)19(14-17)26-21(31)20-15-34-22(24)27-20/h2-3,14-16,25H,4-13H2,1H3,(H2,24,27)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489222 (US10961233, Example 77) Show SMILES CCN(CC)CCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C21H31BrN6O4S/c1-3-26(4-2)8-5-13-33(30,31)28-11-9-27(10-12-28)16-6-7-17(22)18(14-16)24-20(29)19-15-32-21(23)25-19/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,23,25)(H,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489187 (US10961233, Example 28) Show SMILES CN1CC(C1)OC(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H23BrN6O4/c1-24-9-13(10-24)30-19(28)26-6-4-25(5-7-26)12-2-3-14(20)15(8-12)22-17(27)16-11-29-18(21)23-16/h2-3,8,11,13H,4-7,9-10H2,1H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489186 (US10961233, Example 25) Show SMILES CNCCOC(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H23BrN6O4/c1-21-4-9-28-18(27)25-7-5-24(6-8-25)12-2-3-13(19)14(10-12)22-16(26)15-11-29-17(20)23-15/h2-3,10-11,21H,4-9H2,1H3,(H2,20,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489185 (US10961233, Example 24) Show SMILES CN(C)CCCOC(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H27BrN6O4/c1-25(2)6-3-11-30-20(29)27-9-7-26(8-10-27)14-4-5-15(21)16(12-14)23-18(28)17-13-31-19(22)24-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489184 (US10961233, Example 23) Show SMILES CN(C)CCOC(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H25BrN6O4/c1-24(2)9-10-29-19(28)26-7-5-25(6-8-26)13-3-4-14(20)15(11-13)22-17(27)16-12-30-18(21)23-16/h3-4,11-12H,5-10H2,1-2H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489182 (US10961233, Example 21) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Br)N1CCN(CC1)C(=O)OCCNC1CC1 Show InChI InChI=1S/C20H25BrN6O4/c21-15-4-3-14(11-16(15)24-18(28)17-12-31-19(22)25-17)26-6-8-27(9-7-26)20(29)30-10-5-23-13-1-2-13/h3-4,11-13,23H,1-2,5-10H2,(H2,22,25)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM488654 (US10961233, Example 20) Show SMILES CN1CC(COC(=O)N2CCN(CC2)c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)C1 Show InChI InChI=1S/C20H25ClN6O4/c1-25-9-13(10-25)11-31-20(29)27-6-4-26(5-7-27)14-2-3-15(21)16(8-14)23-18(28)17-12-30-19(22)24-17/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489205 (US10961233, Example 60) Show SMILES CN(C)CCNCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H30ClN7O4S/c1-26(2)7-5-23-6-12-33(30,31)28-10-8-27(9-11-28)15-3-4-16(21)17(13-15)24-19(29)18-14-32-20(22)25-18/h3-4,13-14,23H,5-12H2,1-2H3,(H2,22,25)(H,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489211 (US10961233, Example 66) Show SMILES CCCNCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H27ClN6O4S/c1-2-5-22-6-11-31(28,29)26-9-7-25(8-10-26)14-3-4-15(20)16(12-14)23-18(27)17-13-30-19(21)24-17/h3-4,12-13,22H,2,5-11H2,1H3,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489207 (US10961233, Example 62) Show SMILES CN1CCC(CC1)NCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C22H32ClN7O4S/c1-28-7-4-16(5-8-28)25-6-13-35(32,33)30-11-9-29(10-12-30)17-2-3-18(23)19(14-17)26-21(31)20-15-34-22(24)27-20/h2-3,14-16,25H,4-13H2,1H3,(H2,24,27)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489204 (US10961233, Example 59) Show SMILES CN1CCN(CCS(=O)(=O)N2CCN(CC2)c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)CC1 Show InChI InChI=1S/C21H30ClN7O4S/c1-26-4-6-27(7-5-26)12-13-34(31,32)29-10-8-28(9-11-29)16-2-3-17(22)18(14-16)24-20(30)19-15-33-21(23)25-19/h2-3,14-15H,4-13H2,1H3,(H2,23,25)(H,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489202 (US10961233, Example 57) Show SMILES CN(C)CCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H25ClN6O4S/c1-23(2)9-10-30(27,28)25-7-5-24(6-8-25)13-3-4-14(19)15(11-13)21-17(26)16-12-29-18(20)22-16/h3-4,11-12H,5-10H2,1-2H3,(H2,20,22)(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489195 (US10961233, Example 44) Show SMILES CN1CC(CN2CCN(CC2=O)c2cccc(Br)c2NC(=O)c2cocn2)C1 Show InChI InChI=1S/C19H22BrN5O3/c1-23-7-13(8-23)9-25-6-5-24(10-17(25)26)16-4-2-3-14(20)18(16)22-19(27)15-11-28-12-21-15/h2-4,11-13H,5-10H2,1H3,(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489226 (US10961233, Example 87) Show SMILES CN1CCC(CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H27ClN6O4S/c1-25-6-4-15(5-7-25)32(29,30)27-10-8-26(9-11-27)14-2-3-16(21)17(12-14)23-19(28)18-13-31-20(22)24-18/h2-3,12-13,15H,4-11H2,1H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489225 (US10961233, Example 86) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)S(=O)(=O)C1CCNCC1 Show InChI InChI=1S/C19H25ClN6O4S/c20-15-2-1-13(11-16(15)23-18(27)17-12-30-19(21)24-17)25-7-9-26(10-8-25)31(28,29)14-3-5-22-6-4-14/h1-2,11-12,14,22H,3-10H2,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489217 (US10961233, Example 73) Show SMILES CNCCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H25ClN6O4S/c1-21-5-2-10-30(27,28)25-8-6-24(7-9-25)13-3-4-14(19)15(11-13)22-17(26)16-12-29-18(20)23-16/h3-4,11-12,21H,2,5-10H2,1H3,(H2,20,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489213 (US10961233, Example 68) Show SMILES CN(C)CCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H27ClN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489210 (US10961233, Example 65) Show SMILES CCNCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H25ClN6O4S/c1-2-21-5-10-30(27,28)25-8-6-24(7-9-25)13-3-4-14(19)15(11-13)22-17(26)16-12-29-18(20)23-16/h3-4,11-12,21H,2,5-10H2,1H3,(H2,20,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489206 (US10961233, Example 61) Show SMILES CC(C)NCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H27ClN6O4S/c1-13(2)22-5-10-31(28,29)26-8-6-25(7-9-26)14-3-4-15(20)16(11-14)23-18(27)17-12-30-19(21)24-17/h3-4,11-13,22H,5-10H2,1-2H3,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489201 (US10961233, Example 56) Show SMILES CNCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C17H23ClN6O4S/c1-20-4-9-29(26,27)24-7-5-23(6-8-24)12-2-3-13(18)14(10-12)21-16(25)15-11-28-17(19)22-15/h2-3,10-11,20H,4-9H2,1H3,(H2,19,22)(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489196 (US10961233, Example 45) Show SMILES CN(C)CCN1CCN(CC1=O)c1cccc(Br)c1NC(=O)c1coc(N)n1 Show InChI InChI=1S/C18H23BrN6O3/c1-23(2)6-7-24-8-9-25(10-15(24)26)14-5-3-4-12(19)16(14)22-17(27)13-11-28-18(20)21-13/h3-5,11H,6-10H2,1-2H3,(H2,20,21)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489203 (US10961233, Example 58) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)S(=O)(=O)CCNC1CC1 Show InChI InChI=1S/C19H25ClN6O4S/c20-15-4-3-14(11-16(15)23-18(27)17-12-30-19(21)24-17)25-6-8-26(9-7-25)31(28,29)10-5-22-13-1-2-13/h3-4,11-13,22H,1-2,5-10H2,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489193 (US10961233, Example 34) Show SMILES CN1CC(C1)OC(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H23ClN6O4/c1-24-9-13(10-24)30-19(28)26-6-4-25(5-7-26)12-2-3-14(20)15(8-12)22-17(27)16-11-29-18(21)23-16/h2-3,8,11,13H,4-7,9-10H2,1H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489188 (US10961233, Example 29) Show SMILES CN(C)CCCOC(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H27ClN6O4/c1-25(2)6-3-11-30-20(29)27-9-7-26(8-10-27)14-4-5-15(21)16(12-14)23-18(28)17-13-31-19(22)24-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489191 (US10961233, Example 32) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)C(=O)OC1CCNC1 Show InChI InChI=1S/C19H23ClN6O4/c20-14-2-1-12(9-15(14)23-17(27)16-11-29-18(21)24-16)25-5-7-26(8-6-25)19(28)30-13-3-4-22-10-13/h1-2,9,11,13,22H,3-8,10H2,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489194 (US10961233, Example 35) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)C(=O)OCCNC1CC1 Show InChI InChI=1S/C20H25ClN6O4/c21-15-4-3-14(11-16(15)24-18(28)17-12-31-19(22)25-17)26-6-8-27(9-7-26)20(29)30-10-5-23-13-1-2-13/h3-4,11-13,23H,1-2,5-10H2,(H2,22,25)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489198 (US10961233, Example 53) Show SMILES NCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C16H21ClN6O4S/c17-12-2-1-11(9-13(12)20-15(24)14-10-27-16(19)21-14)22-4-6-23(7-5-22)28(25,26)8-3-18/h1-2,9-10H,3-8,18H2,(H2,19,21)(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489192 (US10961233, Example 33) Show SMILES CN(C)CCOC(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H25ClN6O4/c1-24(2)9-10-29-19(28)26-7-5-25(6-8-26)13-3-4-14(20)15(11-13)22-17(27)16-12-30-18(21)23-16/h3-4,11-12H,5-10H2,1-2H3,(H2,21,23)(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489190 (US10961233, Example 31) Show SMILES CNCCOC(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C18H23ClN6O4/c1-21-4-9-28-18(27)25-7-5-24(6-8-25)12-2-3-13(19)14(10-12)22-16(26)15-11-29-17(20)23-15/h2-3,10-11,21H,4-9H2,1H3,(H2,20,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.5	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489197 (US10961233, Example 46) Show SMILES CN(C)CCCN1CCN(CC1=O)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C19H25ClN6O3/c1-24(2)6-3-7-25-8-9-26(11-17(25)27)13-4-5-14(20)15(10-13)22-18(28)16-12-29-19(21)23-16/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,21,23)(H,22,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM489189 (US10961233, Example 30) Show SMILES CN1CCC(C1)OC(=O)N1CCN(CC1)c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Show InChI InChI=1S/C20H25ClN6O4/c1-25-5-4-14(11-25)31-20(29)27-8-6-26(7-9-27)13-2-3-15(21)16(10-13)23-18(28)17-12-30-19(22)24-17/h2-3,10,12,14H,4-9,11H2,1H3,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM488641 (US10961233, Example 19 | US10961233, Example 22) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)C(=O)OCC1CNC1 Show InChI InChI=1S/C19H23ClN6O4/c20-14-2-1-13(7-15(14)23-17(27)16-11-29-18(21)24-16)25-3-5-26(6-4-25)19(28)30-10-12-8-22-9-12/h1-2,7,11-12,22H,3-6,8-10H2,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (Human)	BDBM488641 (US10961233, Example 19 | US10961233, Example 22) Show SMILES Nc1nc(co1)C(=O)Nc1cc(ccc1Cl)N1CCN(CC1)C(=O)OCC1CNC1 Show InChI InChI=1S/C19H23ClN6O4/c20-14-2-1-13(7-15(14)23-17(27)16-11-29-18(21)24-16)25-3-5-26(6-4-25)19(28)30-10-12-8-22-9-12/h1-2,7,11-12,22H,3-6,8-10H2,(H2,21,24)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
LIFEARC US Patent					Assay Description 5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...				US Patent US10961233 (2021) BindingDB Entry DOI: 10.7270/Q2R214HW
					More data for this Ligand-Target Pair
Multifunctional protein ADE2 (Gallus gallus)	BDBM50247810 (3-Nitro-1-(beta-D-ribofuranosyl)pyrrole 5'-phospha...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-7-6(4-19-21(16,17)18)20-9(8(7)13)10-2-1-5(3-10)11(14)15/h1-3,6-9,12-13H,4H2,(H2,16,17,18)/p-2/t6-,7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay				Bioorg Med Chem 17: 794-803 (2009) Article DOI: 10.1016/j.bmc.2008.11.057 BindingDB Entry DOI: 10.7270/Q2RR204K
					More data for this Ligand-Target Pair
Multifunctional protein ADE2 (Gallus gallus)	BDBM50247807 (((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL...) Show SMILES Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C8H13N4O9P/c9-6-7(12(15)16)10-2-11(6)8-5(14)4(13)3(21-8)1-20-22(17,18)19/h2-5,8,13-14H,1,9H2,(H2,17,18,19)/p-2/t3-,4-,5-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay				Bioorg Med Chem 17: 794-803 (2009) Article DOI: 10.1016/j.bmc.2008.11.057 BindingDB Entry DOI: 10.7270/Q2RR204K
					More data for this Ligand-Target Pair
Multifunctional protein ADE2 (Gallus gallus)	BDBM50247824 (5-Amino-1-(beta-D-ribofuranosyl)-4-nitropyrazole 5...) Show SMILES Nc1c(cnn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C8H13N4O9P/c9-7-3(12(15)16)1-10-11(7)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2,9H2,(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay				Bioorg Med Chem 17: 794-803 (2009) Article DOI: 10.1016/j.bmc.2008.11.057 BindingDB Entry DOI: 10.7270/Q2RR204K
					More data for this Ligand-Target Pair
Multifunctional protein ADE2 (Gallus gallus)	BDBM50247808 (3-Nitro-1-(beta-D-ribofuranosyl)imidazole 5'-phosp...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C8H12N3O9P/c12-6-4(2-19-21(16,17)18)20-8(7(6)13)10-1-5(9-3-10)11(14)15/h1,3-4,6-8,12-13H,2H2,(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay				Bioorg Med Chem 17: 794-803 (2009) Article DOI: 10.1016/j.bmc.2008.11.057 BindingDB Entry DOI: 10.7270/Q2RR204K
					More data for this Ligand-Target Pair

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