Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'leyva' and Initial = 'mj'   

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
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81407 (ML4118 | ML4118R | ML4118S) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3| Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81407 (ML4118 | ML4118R | ML4118S) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3| Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81405 (ML4123) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)CCC |w:4.3| Show InChI InChI=1S/C20H26F4N4O2/c1-4-6-7-14(28-10-16(26-27-28)20(3,25)8-5-2)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81404 (ML4161) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CC)CC |w:4.3| Show InChI InChI=1S/C20H26F4N4O2/c1-4-7-8-14(28-10-16(26-27-28)20(25,5-2)6-3)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81414 (ML6076) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(C)CCCN1 |w:4.3| Show InChI InChI=1S/C20H24F4N4O2/c1-3-4-6-14(28-10-16(26-27-28)20(2)7-5-8-25-20)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,25H,3-8,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81403 (HN3019) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCCCC1 |w:4.3| Show InChI InChI=1S/C21H26F4N4O2/c1-2-3-7-15(29-11-17(27-28-29)21(26)8-5-4-6-9-21)16(30)12-31-20-18(24)13(22)10-14(23)19(20)25/h10-11,15H,2-9,12,26H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81397 (ML4057) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)N |w:4.3| Show InChI InChI=1S/C17H20F4N4O2/c1-3-4-5-13(25-7-12(9(2)22)23-24-25)14(26)8-27-17-15(20)10(18)6-11(19)16(17)21/h6-7,9,13H,3-5,8,22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81406 (ML4124) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CCC)CCC |w:4.3| Show InChI InChI=1S/C22H30F4N4O2/c1-4-7-8-16(30-12-18(28-29-30)22(27,9-5-2)10-6-3)17(31)13-32-21-19(25)14(23)11-15(24)20(21)26/h11-12,16H,4-10,13,27H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81399 (ML4046A) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(N)C1CCCCC1 |r,w:4.3| Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81398 (ML4066) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(C)N |w:4.3| Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-6-12(26-8-14(24-25-26)18(2,3)23)13(27)9-28-17-15(21)10(19)7-11(20)16(17)22/h7-8,12H,4-6,9,23H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075045 (CHEMBL3410378) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C42H71N11O12/c1-7-23(4)34(51-39(62)31-14-11-19-53(31)41(64)24(5)46-25(6)54)40(63)48-26(12-8-9-17-43)36(59)49-28(20-22(2)3)38(61)47-27(15-16-33(56)57)37(60)50-29(21-32(44)55)42(65)52-18-10-13-30(52)35(45)58/h22-24,26-31,34H,7-21,43H2,1-6H3,(H2,44,55)(H2,45,58)(H,46,54)(H,47,61)(H,48,63)(H,49,59)(H,50,60)(H,51,62)(H,56,57)/t23-,24-,26-,27-,28-,29-,30-,31-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81413 (ML5004) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(CCC)(CCC)NC |w:4.3| Show InChI InChI=1S/C23H32F4N4O2/c1-5-8-9-17(18(32)14-33-22-20(26)15(24)12-16(25)21(22)27)31-13-19(29-30-31)23(28-4,10-6-2)11-7-3/h12-13,17,28H,5-11,14H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075044 (CHEMBL3410377) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C34H59N9O10/c1-6-19(4)28(42-33(52)25-11-9-15-43(25)20(5)44)34(53)39-21(10-7-8-14-35)30(49)41-24(16-18(2)3)32(51)38-22(12-13-27(46)47)31(50)40-23(29(37)48)17-26(36)45/h18-19,21-25,28H,6-17,35H2,1-5H3,(H2,36,45)(H2,37,48)(H,38,51)(H,39,53)(H,40,50)(H,41,49)(H,42,52)(H,46,47)/t19-,21-,22-,23-,24-,25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075046 (CHEMBL3410379) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81415 (ML4091) Show SMILES CCCCC(C(=O)COC(=O)c1c(C)cccc1C)n1cc(nn1)C1(N)CCCCC1 Show InChI InChI=1S/C24H34N4O3/c1-4-5-12-19(28-15-21(26-27-28)24(25)13-7-6-8-14-24)20(29)16-31-23(30)22-17(2)10-9-11-18(22)3/h9-11,15,19H,4-8,12-14,16,25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075047 (CHEMBL3410380) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCO\N=C\c1cnc(O)c(C#N)c1Nc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C37H52N10O9/c1-22(2)18-30(37(55)45-27(33(40)51)14-15-31(49)50)47-36(54)29(12-7-8-16-38)46-35(53)28(43-23(3)48)13-9-17-56-42-21-24-20-41-34(52)26(19-39)32(24)44-25-10-5-4-6-11-25/h4-6,10-11,20-22,27-30H,7-9,12-18,38H2,1-3H3,(H2,40,51)(H,43,48)(H,45,55)(H,46,53)(H,47,54)(H,49,50)(H2,41,44,52)/b42-21+/t27-,28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81407 (ML4118 | ML4118R | ML4118S) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3| Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075048 (CHEMBL3410381) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCO\N=C\c1c(C)nn(C)c1N1CCOCC1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C34H58N10O9/c1-21(2)19-28(33(51)39-25(30(36)48)11-12-29(46)47)41-32(50)27(9-6-7-13-35)40-31(49)26(38-23(4)45)10-8-16-53-37-20-24-22(3)42-43(5)34(24)44-14-17-52-18-15-44/h20-21,25-28H,6-19,35H2,1-5H3,(H2,36,48)(H,38,45)(H,39,51)(H,40,49)(H,41,50)(H,46,47)/b37-20+/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81411 (ML4163) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCN(CC1)C(C)=O |w:4.3| Show InChI InChI=1S/C22H27F4N5O3/c1-3-4-5-16(17(33)12-34-21-19(25)14(23)10-15(24)20(21)26)31-11-18(28-29-31)22(27)6-8-30(9-7-22)13(2)32/h10-11,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81410 (ML4162) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCNCC1 |w:4.3| Show InChI InChI=1S/C20H25F4N5O2/c1-2-3-4-14(29-10-16(27-28-29)20(25)5-7-26-8-6-20)15(30)11-31-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,26H,2-8,11,25H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81412 (ML4154) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCN(CC1)C(N)=O Show InChI InChI=1S/C21H26F4N6O3/c1-2-3-4-14(15(32)11-34-19-17(24)12(22)9-13(23)18(19)25)31-10-16(28-29-31)21(27)5-7-30(8-6-21)20(26)33/h9-10,14H,2-8,11,27H2,1H3,(H2,26,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81400 (ML4046B) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(N)C1CCCCC1 |r,w:4.3| Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075043 (CHEMBL3410376) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C25H46N6O7/c1-6-15(4)21(28-16(5)32)25(38)30-18(9-7-8-12-26)23(36)31-19(13-14(2)3)24(37)29-17(22(27)35)10-11-20(33)34/h14-15,17-19,21H,6-13,26H2,1-5H3,(H2,27,35)(H,28,32)(H,29,37)(H,30,38)(H,31,36)(H,33,34)/t15-,17-,18-,19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM50075049 (CHEMBL3410392) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C24H44N6O7S/c1-5-14(2)20(27-15(3)31)24(37)30-17(8-6-7-12-25)22(35)29-18(11-13-38-4)23(36)28-16(21(26)34)9-10-19(32)33/h14,16-18,20H,5-13,25H2,1-4H3,(H2,26,34)(H,27,31)(H,28,36)(H,29,35)(H,30,37)(H,32,33)/t14-,16-,17-,18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 ...				Bioorg Med Chem Lett 25: 2146-51 (2015) Article DOI: 10.1016/j.bmcl.2015.03.069 BindingDB Entry DOI: 10.7270/Q2J104VS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81402 (ML4068) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)Cc1ccccc1 |w:4.3| Show InChI InChI=1S/C23H24F4N4O2/c1-2-3-9-19(20(32)13-33-23-21(26)15(24)11-16(25)22(23)27)31-12-18(29-30-31)17(28)10-14-7-5-4-6-8-14/h4-8,11-12,17,19H,2-3,9-10,13,28H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81416 (ML4101) Show SMILES CCCCC(C#N)n1cc(nn1)C1(N)CCCCC1 |w:4.3| Show InChI InChI=1S/C14H23N5/c1-2-3-7-12(10-15)19-11-13(17-18-19)14(16)8-5-4-6-9-14/h11-12H,2-9,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81401 (ML4053) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)Cc1ccccc1 |w:4.3| Show InChI InChI=1S/C24H26F4N4O2/c1-3-4-10-18(19(33)14-34-23-21(27)16(25)11-17(26)22(23)28)32-13-20(30-31-32)24(2,29)12-15-8-6-5-7-9-15/h5-9,11,13,18H,3-4,10,12,14,29H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair