Compile Data Set for Download or QSAR

Found 478 hits with Last Name = 'shenderovich' and Initial = 'm'   

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
Delta-type opioid receptor (MOUSE)	BDBM50060080 (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]p-CI-DPDPE radioligand from mouse vas defere...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50060080 (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474951 (US10849901, Compound 1) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2cccc(c2)-c2cccnc2)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H13Cl2F3N4O/c25-17-7-6-15(10-18(17)26)21-22(24(27,28)29)32-33-20(34)11-19(31-23(21)33)14-4-1-3-13(9-14)16-5-2-8-30-12-16/h1-12,31H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347432 (CHEMBL1801863) Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50117198 (4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme...) Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1 Show InChI InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.				J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474952 (US10849901, Compound 2) Show SMILES Fc1cc(F)cc(Oc2cccc(c2)-c2cc(=O)n3nc(c(-c4ccc(Cl)c(Cl)c4)c3[nH]2)C(F)(F)F)c1 Show InChI InChI=1S/C25H12Cl2F5N3O2/c26-18-5-4-13(7-19(18)27)22-23(25(30,31)32)34-35-21(36)11-20(33-24(22)35)12-2-1-3-16(6-12)37-17-9-14(28)8-15(29)10-17/h1-11,33H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347433 (CHEMBL1801864) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nnn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474954 (US10849901, Compound 4) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2cccc(Oc3ccccc3)c2)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H14Cl2F3N3O2/c26-18-10-9-15(12-19(18)27)22-23(25(28,29)30)32-33-21(34)13-20(31-24(22)33)14-5-4-8-17(11-14)35-16-6-2-1-3-7-16/h1-13,31H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474953 (US10849901, Compound 3) Show SMILES FC(F)(F)c1nn2c(N=C(CC2=O)c2ccc(NC(=O)c3ccccc3)cc2)c1-c1ccc(Cl)cc1 |c:8| Show InChI InChI=1S/C26H16ClF3N4O2/c27-18-10-6-16(7-11-18)22-23(26(28,29)30)33-34-21(35)14-20(32-24(22)34)15-8-12-19(13-9-15)31-25(36)17-4-2-1-3-5-17/h1-13H,14H2,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474954 (US10849901, Compound 4) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2cccc(Oc3ccccc3)c2)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H14Cl2F3N3O2/c26-18-10-9-15(12-19(18)27)22-23(25(28,29)30)32-33-21(34)13-20(31-24(22)33)14-5-4-8-17(11-14)35-16-6-2-1-3-7-16/h1-13,31H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347427 (CHEMBL1801934) Show SMILES Cc1nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)n1C Show InChI InChI=1S/C27H24ClN5O2/c1-4-12-33(17-21-13-23-25(14-24(21)28)31-18(2)32(3)27(23)35)22-9-7-20(8-10-22)26(34)30-16-19-6-5-11-29-15-19/h1,5-11,13-15H,12,16-17H2,2-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM475063 (US10849901, Compound 113) Show SMILES CCC(C)(C)C1CCc2c(C1)sc1NC(NC(=O)c21)c1cc(OC)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H27N3O5S/c1-5-22(2,3)12-6-7-13-16(10-12)31-21-17(13)20(27)23-19(24-21)11-8-14(25(28)29)18(26)15(9-11)30-4/h8-9,12,19,24,26H,5-7,10H2,1-4H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474955 (US10849901, Compound 5) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(c(-c3ccc(Cl)c(Cl)c3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C24H14Cl2N4O3/c25-18-11-8-16(12-19(18)26)22-23(15-4-2-1-3-5-15)28-29-21(31)13-20(27-24(22)29)14-6-9-17(10-7-14)30(32)33/h1-13,27H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50038424 ((S)-3-[(S)-2-((R)-2-Amino-propionylamino)-3-phenyl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C28H43N7O8/c1-14(2)22(27(42)31-13-20(30)36)35-28(43)23(15(3)4)34-26(41)19(12-21(37)38)33-25(40)18(32-24(39)16(5)29)11-17-9-7-6-8-10-17/h6-10,14-16,18-19,22-23H,11-13,29H2,1-5H3,(H2,30,36)(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t16-,18+,19+,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity opioid receptor				J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50038424 ((S)-3-[(S)-2-((R)-2-Amino-propionylamino)-3-phenyl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C28H43N7O8/c1-14(2)22(27(42)31-13-20(30)36)35-28(43)23(15(3)4)34-26(41)19(12-21(37)38)33-25(40)18(32-24(39)16(5)29)11-17-9-7-6-8-10-17/h6-10,14-16,18-19,22-23H,11-13,29H2,1-5H3,(H2,30,36)(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t16-,18+,19+,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity opioid receptor				J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474957 (US10849901, Compound 7) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(c(-c3ccc(Cl)c(Cl)c3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H9Cl2F3N4O3/c20-12-6-3-10(7-13(12)21)16-17(19(22,23)24)26-27-15(29)8-14(25-18(16)27)9-1-4-11(5-2-9)28(30)31/h1-8,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474956 (US10849901, Compound 6) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2ccc(Oc3ccccc3)cc2)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H14Cl2F3N3O2/c26-18-11-8-15(12-19(18)27)22-23(25(28,29)30)32-33-21(34)13-20(31-24(22)33)14-6-9-17(10-7-14)35-16-4-2-1-3-5-16/h1-13,31H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474958 (US10849901, Compound 8) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(c(-c3ccc(Cl)c(c3)C(F)(F)F)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H9ClF6N4O3/c21-13-6-3-10(7-12(13)19(22,23)24)16-17(20(25,26)27)29-30-15(32)8-14(28-18(16)30)9-1-4-11(5-2-9)31(33)34/h1-8,28H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347431 (CHEMBL1801862) Show SMILES Cn1c(CO)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O Show InChI InChI=1S/C27H24ClN5O3/c1-3-11-33(16-20-12-22-24(13-23(20)28)31-25(17-34)32(2)27(22)36)21-8-6-19(7-9-21)26(35)30-15-18-5-4-10-29-14-18/h1,4-10,12-14,34H,11,15-17H2,2H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474959 (US10849901, Compound 9) Show SMILES FC(F)(F)c1nn2c([nH]c(Cc3ccccc3)cc2=O)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H12Cl2F3N3O/c21-14-7-6-12(9-15(14)22)17-18(20(23,24)25)27-28-16(29)10-13(26-19(17)28)8-11-4-2-1-3-5-11/h1-7,9-10,26H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474960 (US10849901, Compound 10) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1[nH]c2c(c(nn2c(=O)c1Cl)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H9Cl2F3N4O3/c20-11-5-1-9(2-6-11)13-16(19(22,23)24)26-27-17(13)25-15(14(21)18(27)29)10-3-7-12(8-4-10)28(30)31/h1-8,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474962 (US10849901, Compound 12) Show SMILES Cc1ccc(cn1)-c1cccc(c1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H16ClF3N4O/c1-14-5-6-18(13-30-14)16-3-2-4-17(11-16)20-12-21(34)33-24(31-20)22(23(32-33)25(27,28)29)15-7-9-19(26)10-8-15/h2-13,31H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474961 (US10849901, Compound 11) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C24H15ClN4O3/c25-18-10-6-16(7-11-18)22-23(17-4-2-1-3-5-17)27-28-21(30)14-20(26-24(22)28)15-8-12-19(13-9-15)29(31)32/h1-14,26H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474963 (US10849901, Compound 13) Show SMILES FC(F)(F)c1nn2c([nH]c(-c3ccccc3)c(Cl)c2=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H10Cl2F3N3O/c20-12-8-6-10(7-9-12)13-16(19(22,23)24)26-27-17(13)25-15(14(21)18(27)28)11-4-2-1-3-5-11/h1-9,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386830 (CHEMBL2047958) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCNCC1 Show InChI InChI=1S/C22H30N8O/c1-31-18-13-16(30-11-9-23-10-12-30)7-8-17(18)27-22-28-20-19(24-14-25-20)21(29-22)26-15-5-3-2-4-6-15/h7-8,13-15,23H,2-6,9-12H2,1H3,(H3,24,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386829 (CHEMBL2047956) Show SMILES CCOc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C23H31N7O2/c1-2-32-19-14-17(30-10-12-31-13-11-30)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H3,24,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474964 (US10849901, Compound 14) Show SMILES Clc1ccc(cc1Cl)-c1c(nn2c1[nH]c(cc2=O)-c1cccc(Oc2ccccc2)c1)C1CC1 Show InChI InChI=1S/C27H19Cl2N3O2/c28-21-12-11-18(14-22(21)29)25-26(16-9-10-16)31-32-24(33)15-23(30-27(25)32)17-5-4-8-20(13-17)34-19-6-2-1-3-7-19/h1-8,11-16,30H,9-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386825 (CHEMBL2047952) Show SMILES FC(F)(F)Oc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474966 (US10849901, Compound 16) Show SMILES CCC(=O)Nc1ccc(cc1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C22H16ClF3N4O2/c1-2-17(31)27-15-9-5-12(6-10-15)16-11-18(32)30-21(28-16)19(20(29-30)22(24,25)26)13-3-7-14(23)8-4-13/h3-11,28H,2H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386824 (CHEMBL2047951) Show SMILES Cc1cc(ccc1Nc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1)N1CCOCC1 |(42.48,-14.05,;42.49,-12.51,;43.82,-11.74,;43.82,-10.2,;42.48,-9.43,;41.15,-10.2,;41.16,-11.73,;39.82,-12.5,;38.49,-11.73,;38.49,-10.19,;37.16,-9.41,;37.16,-7.87,;38.5,-7.1,;39.84,-7.88,;41.17,-7.12,;41.18,-5.58,;42.52,-4.82,;39.85,-4.81,;38.5,-5.57,;35.83,-10.18,;34.36,-9.7,;33.45,-10.95,;34.36,-12.21,;35.83,-11.73,;37.16,-12.49,;45.16,-9.43,;46.5,-10.21,;47.83,-9.44,;47.84,-7.9,;46.5,-7.13,;45.16,-7.89,)| Show InChI InChI=1S/C22H29N7O2/c1-14-12-16(29-8-10-31-11-9-29)4-7-18(14)26-22-27-20-19(23-13-24-20)21(28-22)25-15-2-5-17(30)6-3-15/h4,7,12-13,15,17,30H,2-3,5-6,8-11H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.				J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM33301 (US10849901, Compound 115 | rhodanine, 1-2) Show SMILES Cc1cccc(c1)N1C(=S)S\C(=C/c2cc(cc(Br)c2O)[N+]([O-])=O)C1=O Show InChI InChI=1S/C17H11BrN2O4S2/c1-9-3-2-4-11(5-9)19-16(22)14(26-17(19)25)7-10-6-12(20(23)24)8-13(18)15(10)21/h2-8,21H,1H3/b14-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474956 (US10849901, Compound 6) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2ccc(Oc3ccccc3)cc2)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H14Cl2F3N3O2/c26-18-11-8-15(12-19(18)27)22-23(25(28,29)30)32-33-21(34)13-20(31-24(22)33)14-6-9-17(10-7-14)35-16-4-2-1-3-5-16/h1-13,31H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474965 (US10849901, Compound 15) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2ccc(Br)cc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H10BrClF3N3O/c20-12-5-1-10(2-6-12)14-9-15(28)27-18(25-14)16(17(26-27)19(22,23)24)11-3-7-13(21)8-4-11/h1-9,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM475064 (US10849901, Compound 114) Show SMILES Nn1c(cc2c(C#N)c(=O)n(nc2c1=O)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C20H11Cl2N5O2/c21-11-5-7-12(8-6-11)27-19(28)15(10-23)14-9-17(13-3-1-2-4-16(13)22)26(24)20(29)18(14)25-27/h1-9H,24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474968 (US10849901, Compound 18) Show SMILES Cc1nn2c([nH]c(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O3/c1-16-24(20-9-7-18(8-10-20)17-5-3-2-4-6-17)25-26-22(15-23(30)28(25)27-16)19-11-13-21(14-12-19)29(31)32/h2-15,26H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474969 (US10849901, Compound 19) Show SMILES CN(C)c1ccc(cn1)-c1cccc(c1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C26H19ClF3N5O/c1-34(2)21-11-8-18(14-31-21)16-4-3-5-17(12-16)20-13-22(36)35-25(32-20)23(24(33-35)26(28,29)30)15-6-9-19(27)10-7-15/h3-14,32H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474970 (US10849901, Compound 20) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(Cc3ccccc3)c(-c3cccc4ccccc34)c2[nH]1 |(6.88,-4.22,;6.88,-2.68,;8.21,-1.91,;5.54,-1.91,;4.16,-2.65,;2.83,-1.88,;2.83,-.34,;4.16,.43,;5.5,-.34,;1.49,.43,;1.49,1.97,;.16,2.74,;.16,4.28,;-1.17,1.97,;-2.64,2.44,;-3.54,1.2,;-5.08,1.2,;-5.85,2.53,;-5.08,3.87,;-5.85,5.2,;-7.39,5.2,;-8.16,3.87,;-7.39,2.53,;-2.64,-.05,;-3.04,-1.53,;-4.52,-1.93,;-4.92,-3.42,;-3.83,-4.51,;-2.35,-4.11,;-1.26,-5.2,;.23,-4.8,;.63,-3.31,;-.46,-2.22,;-1.95,-2.62,;-1.17,.43,;.16,-.34,)| Show InChI InChI=1S/C29H20N4O3/c34-27-18-25(21-13-15-22(16-14-21)33(35)36)30-29-28(24-12-6-10-20-9-4-5-11-23(20)24)26(31-32(27)29)17-19-7-2-1-3-8-19/h1-16,18,30H,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474967 (US10849901, Compound 17) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2ccc(cc2)-c2cccnc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H14ClF3N4O/c25-18-9-7-16(8-10-18)21-22(24(26,27)28)31-32-20(33)12-19(30-23(21)32)15-5-3-14(4-6-15)17-2-1-11-29-13-17/h1-13,30H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM475092 (US10849901, Compound 142) Show SMILES Fc1ccc(cc1)C1=CCN(CC1)c1nc(nc2CNCc12)-c1ccncc1 |t:8| Show InChI InChI=1S/C22H20FN5/c23-18-3-1-15(2-4-18)16-7-11-28(12-8-16)22-19-13-25-14-20(19)26-21(27-22)17-5-9-24-10-6-17/h1-7,9-10,25H,8,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474971 (US10849901, Compound 21) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H10ClF3N4O3/c20-12-6-4-10(5-7-12)16-17(19(21,22)23)25-26-15(28)9-14(24-18(16)26)11-2-1-3-13(8-11)27(29)30/h1-9,24H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474972 (US10849901, Compound 22 | US10849901, Compound 27) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1 Show InChI InChI=1S/C21H14Cl2N4O3/c22-15-8-5-13(9-16(15)23)19-20(12-1-2-12)25-26-18(28)10-17(24-21(19)26)11-3-6-14(7-4-11)27(29)30/h3-10,12,24H,1-2H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474973 (US10849901, Compound 23) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1 Show InChI InChI=1S/C25H16Cl2N4O3/c26-19-11-8-17(13-20(19)27)24-22(12-15-4-2-1-3-5-15)29-30-23(32)14-21(28-25(24)30)16-6-9-18(10-7-16)31(33)34/h1-11,13-14,28H,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347394 (CHEMBL1801566) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccc2ncn(-[#6])c(=O)c2c1)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 Show InChI InChI=1S/C28H29N5O2/c1-20(2)12-14-33(18-21-6-11-26-25(15-21)28(35)32(3)19-31-26)24-9-7-23(8-10-24)27(34)30-17-22-5-4-13-29-16-22/h4-13,15-16,19H,14,17-18H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347407 (CHEMBL1801561) Show SMILES Clc1ccccc1CN(CC1CC1)c1ccc(cc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H24ClN3O/c25-23-6-2-1-5-21(23)17-28(16-18-7-8-18)22-11-9-20(10-12-22)24(29)27-15-19-4-3-13-26-14-19/h1-6,9-14,18H,7-8,15-17H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474974 (US10849901, Compound 24) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1[nH]c2c(c(Cc3ccccc3)nn2c(=O)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H16Cl2N4O3/c26-18-10-6-16(7-11-18)21-20(14-15-4-2-1-3-5-15)29-30-24(21)28-23(22(27)25(30)32)17-8-12-19(13-9-17)31(33)34/h1-13,28H,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50347415 (CHEMBL1801552) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccc2nc(-[#6])n(-[#6])c(=O)c2c1)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 Show InChI InChI=1S/C29H31N5O2/c1-20(2)13-15-34(19-22-7-12-27-26(16-22)29(36)33(4)21(3)32-27)25-10-8-24(9-11-25)28(35)31-18-23-6-5-14-30-17-23/h5-14,16-17H,15,18-19H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide				J Med Chem 53: 8734-46 (2010) Article DOI: 10.1021/jm101145b BindingDB Entry DOI: 10.7270/Q26H4HSP
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM50168142 (CHEMBL3716578 | US10849901, Compound 38 | US109530...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 Show InChI InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,27H,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair
ADP-ribosylation factor 6 (Human)	BDBM474978 (US10849901, Compound 28) Show SMILES CC(c1nn2c([nH]c(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccc(Cl)cc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Navigen, Inc.; The University of Utah Research Foundation US Patent					Assay Description The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing ...				US Patent US10849901 (2020) BindingDB Entry DOI: 10.7270/Q2T156Q6
					More data for this Ligand-Target Pair

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