Compile Data Set for Download or QSAR

Found 1007 hits with Last Name = 'vankayalapati' and Initial = 'h'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445346 (CHEMBL3104250) Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2| Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 1 ...				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445346 (CHEMBL3104250) Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2| Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445346 (CHEMBL3104250) Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2| Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 3 ...				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445346 (CHEMBL3104250) Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2| Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 30...				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445346 (CHEMBL3104250) Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2| Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					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
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
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
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
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)	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)	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
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)	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)	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)	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
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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM28031 (BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...) Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis				ACS Med Chem Lett 2: 907-912 (2011) Article DOI: 10.1021/ml200198x BindingDB Entry DOI: 10.7270/Q2DZ099R
					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)	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)	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)	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)	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)	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)	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)	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)	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
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
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
ADP-ribosylation factor 6 (Human)	BDBM475066 (US10849901, Compound 116) Show SMILES CCOc1ccc(cc1C)-c1nn(cc1\C=C1/SC(=S)N(CCC(O)=O)C1=O)-c1ccccc1 Show InChI InChI=1S/C25H23N3O4S2/c1-3-32-20-10-9-17(13-16(20)2)23-18(15-28(26-23)19-7-5-4-6-8-19)14-21-24(31)27(25(33)34-21)12-11-22(29)30/h4-10,13-15H,3,11-12H2,1-2H3,(H,29,30)/b21-14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
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	1.40	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)	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)	BDBM474976 (US10849901, Compound 26) Show SMILES COc1cc(ccc1Cl)-c1c(C)nn2c1[nH]c(cc2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H15ClN4O4/c1-11-19(13-5-8-15(21)17(9-13)29-2)20-22-16(10-18(26)24(20)23-11)12-3-6-14(7-4-12)25(27)28/h3-10,22H,1-2H3	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
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	1.40	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)	BDBM474975 (US10849901, Compound 25) Show SMILES FC(F)(F)c1nn2c([nH]c(cc2=O)-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H10Cl2F3N3O/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	1.40	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)	BDBM475067 (US10849901, Compound 117) Show SMILES O=c1cc(CSc2nc3\C(CCc3c(-c3ccccc3)c2C#N)=C\c2ccccc2)[nH]c(=O)[nH]1 Show InChI InChI=1S/C27H20N4O2S/c28-15-22-24(18-9-5-2-6-10-18)21-12-11-19(13-17-7-3-1-4-8-17)25(21)31-26(22)34-16-20-14-23(32)30-27(33)29-20/h1-10,13-14H,11-12,16H2,(H2,29,30,32,33)/b19-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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)	BDBM474981 (US10849901, Compound 31) Show SMILES COc1ccc(cn1)-c1cccc(c1)-c1cc(=O)n2nc(c(-c3ccc(Cl)cc3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H16ClF3N4O2/c1-35-20-10-7-17(13-30-20)15-3-2-4-16(11-15)19-12-21(34)33-24(31-19)22(23(32-33)25(27,28)29)14-5-8-18(26)9-6-14/h2-13,31H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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)	BDBM474980 (US10849901, Compound 30) Show SMILES Cc1nn2c([nH]c(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H18N4O4/c1-16-24(18-9-13-21(14-10-18)33-20-5-3-2-4-6-20)25-26-22(15-23(30)28(25)27-16)17-7-11-19(12-8-17)29(31)32/h2-15,26H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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

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