Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'maresca' and Initial = 'kp'   

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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265453 ((S)-2-(3-((S)-1-Carboxy-5-(3-(4-bromophenyl)ureido...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Br)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H25BrN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265381 ((S)-2-(3-((S)-1-Carboxy-5-(4-chlorobenzylamino)pen...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(Cl)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26ClN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265471 ((S)-2-(3-((S)-1-Carboxy-5-(3-(4-fluorophenyl)ureid...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(F)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H25FN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265454 ((S)-2-(3-((S)-1-Carboxy-5-(3-(4-chlorophenyl)ureid...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H25ClN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265783 ((S)-2-(3-((S)-1-Carboxy-5-(3-(4-iodophenyl)ureido)...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265474 ((S)-2-(3-((S)-1-Carboxy-5-(4-iodophenylsulfonamido...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H24IN3O9S/c19-11-4-6-12(7-5-11)32(30,31)20-10-2-1-3-13(16(25)26)21-18(29)22-14(17(27)28)8-9-15(23)24/h4-7,13-14,20H,1-3,8-10H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265472 ((S)-2-(3-((S)-1-Carboxy-5-(3-phenylureido)pentyl)u...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26N4O8/c24-15(25)10-9-14(17(28)29)23-19(31)22-13(16(26)27)8-4-5-11-20-18(30)21-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,20,21,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265473 ((9S,13S)-1-(3-iodophenyl)-3,11-dioxo-2,4,10,12-tet...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1cccc(I)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H27IN4O8/c21-13-5-3-4-12(10-13)11-23-19(32)22-9-2-1-6-14(17(28)29)24-20(33)25-15(18(30)31)7-8-16(26)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,26,27)(H,28,29)(H,30,31)(H2,22,23,32)(H2,24,25,33)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM103917 (US8562945, 253) Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21 |c:2,4,32,t:30| Show InChI InChI=1S/C22H36BN7O4.Re/c1-27-13-9-24-19(27)16-29(17-20-25-10-14-28(20)2)11-5-3-4-8-21(31)26-15-22(32)30-12-6-7-18(30)23(33)34;/h9-10,13-14,18,33-34H,3-8,11-12,15-17H2,1-2H3,(H,26,31);/q;+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit separase enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM103918 (US8562945, 254) Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N]12CC3=CC=CC=[N]3[Re+]1[N]1=C(C2)C=CC=C1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C24H34BN5O4.Re/c31-23(28-17-24(32)30-16-8-11-22(30)25(33)34)12-2-1-7-15-29(18-20-9-3-5-13-26-20)19-21-10-4-6-14-27-21;/h3-6,9-10,13-14,22,33-34H,1-2,7-8,11-12,15-19H2,(H,28,31);/q;+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit separase enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265377 ((S)-2-(3-((S)-1-Carboxy-5-(4-iodobenzylamino)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103909 (JNK3 inhibitor 6 | US8562945, 242) Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23| Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265378 ((S)-2-(3-((S)-1-Carboxy-5-(2-iodobenzylamino)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1I)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26IN3O7/c20-13-6-2-1-5-12(13)11-21-10-4-3-7-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h1-2,5-6,14-15,21H,3-4,7-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103908 (JNK3 inhibitor 5 | US8562945, 241) Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12| Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103911 (JNK3 inhibitor 8 | US8562945, 246) Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C27H36N6O2S2.Re/c28-34-35-37-26-15-13-23(14-16-26)32-27(36)31-19-7-3-1-2-4-10-20-33(21-24-11-5-8-17-29-24)22-25-12-6-9-18-30-25;/h5-6,8-9,11-18H,1-4,7,10,19-22,28H2,(H2,31,32,36);/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265380 ((S)-2-(3-((S)-1-Carboxy-5-(4-bromobenzylamino)pent...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(Br)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26BrN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103915 (US8562945, 250) Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCCCCCCNC(=S)Nc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,37,t:35| Show InChI InChI=1S/C27H42N8O2S2.Re/c1-33-19-16-29-25(33)21-35(22-26-30-17-20-34(26)2)18-10-8-6-4-3-5-7-9-15-31-27(38)32-23-11-13-24(14-12-23)39-37-36-28;/h11-14,16-17,19-20H,3-10,15,18,21-22,28H2,1-2H3,(H2,31,32,38);/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103911 (JNK3 inhibitor 8 | US8562945, 246) Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C27H36N6O2S2.Re/c28-34-35-37-26-15-13-23(14-16-26)32-27(36)31-19-7-3-1-2-4-10-20-33(21-24-11-5-8-17-29-24)22-25-12-6-9-18-30-25;/h5-6,8-9,11-18H,1-4,7,10,19-22,28H2,(H2,31,32,36);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265489 ((S)-2-(3-((S)-1-Carboxy-5-(naphthalen-1-ylmethylam...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc2ccccc12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c27-20(28)12-11-19(22(31)32)26-23(33)25-18(21(29)30)10-3-4-13-24-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,24H,3-4,10-14H2,(H,27,28)(H,29,30)(H,31,32)(H2,25,26,33)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103909 (JNK3 inhibitor 6 | US8562945, 242) Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23| Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103914 (US8562945, 249) Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:27,31,33| Show InChI InChI=1S/C23H33N5O4S2.Re/c24-31-32-34-21-12-10-19(11-13-21)27-23(33)26-15-6-3-1-2-4-8-16-28(18-22(29)30)17-20-9-5-7-14-25-20;/h5,7,9-14H,1-4,6,8,15-18,24H2,(H,29,30)(H2,26,27,33);/q;+1/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	189	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265391 ((S)-2-(3-((S)-1-Carboxy-5-(2-chlorobenzylamino)pen...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1Cl)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26ClN3O7/c20-13-6-2-1-5-12(13)11-21-10-4-3-7-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h1-2,5-6,14-15,21H,3-4,7-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103913 (US8562945, 248) Show SMILES NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:21,23,28,32,34,t:19| Show InChI InChI=1S/C24H30N6O2S2.Re/c25-31-32-34-23-12-10-20(11-13-23)29-24(33)28-16-4-1-7-17-30(18-21-8-2-5-14-26-21)19-22-9-3-6-15-27-22;/h2-3,5-6,8-15H,1,4,7,16-19,25H2,(H2,28,29,33);/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265451 ((S)-2-(3-((S)-1-Carboxy-5-(3-chlorobenzylamino)pen...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc(Cl)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26ClN3O7/c20-13-5-3-4-12(10-13)11-21-9-2-1-6-14(17(26)27)22-19(30)23-15(18(28)29)7-8-16(24)25/h3-5,10,14-15,21H,1-2,6-9,11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103912 (US8562945, 247) Show SMILES NOOSc1ccc(NC(=S)NCCOCCOCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C25H32N6O4S2.Re/c26-34-35-37-24-9-7-21(8-10-24)30-25(36)29-13-15-32-17-18-33-16-14-31(19-22-5-1-3-11-27-22)20-23-6-2-4-12-28-23;/h1-12H,13-20,26H2,(H2,29,30,36);/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	305	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103914 (US8562945, 249) Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:27,31,33| Show InChI InChI=1S/C23H33N5O4S2.Re/c24-31-32-34-21-12-10-19(11-13-21)27-23(33)26-15-6-3-1-2-4-8-16-28(18-22(29)30)17-20-9-5-7-14-25-20;/h5,7,9-14H,1-4,6,8,15-18,24H2,(H,29,30)(H2,26,27,33);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	405	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265379 ((S)-2-(3-((S)-1-Carboxy-5-(3-iodobenzylamino)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc(I)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26IN3O7/c20-13-5-3-4-12(10-13)11-21-9-2-1-6-14(17(26)27)22-19(30)23-15(18(28)29)7-8-16(24)25/h3-5,10,14-15,21H,1-2,6-9,11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	443	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103908 (JNK3 inhibitor 5 | US8562945, 241) Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12| Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	445	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265784 ((S)-2-(3-((S)-5-Amino-1-carboxypentyl)ureido)penta...) Show SMILES NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H21N3O7/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8-/m0/s1	PDB MMDB 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	498	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103910 (JNK3 inhibitor 7 | US8562945, 243) Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23| Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	564	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103910 (JNK3 inhibitor 7 | US8562945, 243) Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23| Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	652	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103915 (US8562945, 250) Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCCCCCCNC(=S)Nc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,37,t:35| Show InChI InChI=1S/C27H42N8O2S2.Re/c1-33-19-16-29-25(33)21-35(22-26-30-17-20-34(26)2)18-10-8-6-4-3-5-7-9-15-31-27(38)32-23-11-13-24(14-12-23)39-37-36-28;/h11-14,16-17,19-20H,3-10,15,18,21-22,28H2,1-2H3,(H2,31,32,38);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	669	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103913 (US8562945, 248) Show SMILES NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:21,23,28,32,34,t:19| Show InChI InChI=1S/C24H30N6O2S2.Re/c25-31-32-34-23-12-10-20(11-13-23)29-24(33)28-16-4-1-7-17-30(18-21-8-2-5-14-26-21)19-22-9-3-6-15-27-22;/h2-3,5-6,8-15H,1,4,7,16-19,25H2,(H2,28,29,33);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265452 ((S)-2-(3-((S)-1-Carboxy-5-(4-fluorobenzylamino)pen...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(F)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26FN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM103912 (US8562945, 247) Show SMILES NOOSc1ccc(NC(=S)NCCOCCOCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C25H32N6O4S2.Re/c26-34-35-37-24-9-7-21(8-10-24)30-25(36)29-13-15-32-17-18-33-16-14-31(19-22-5-1-3-11-27-22)20-23-6-2-4-12-28-23;/h1-12H,13-20,26H2,(H2,29,30,36);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265782 ((S)-2-(3-((S)-5-(Benzylamino)-1-carboxypentyl)urei...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H27N3O7/c23-16(24)10-9-15(18(27)28)22-19(29)21-14(17(25)26)8-4-5-11-20-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,20H,4-5,8-12H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50265785 ((S)-2-(3-(4-iodobenzyl)ureido)pentanedioic acid | ...) Show SMILES OC(=O)CC[C@H](NC(=O)NCc1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C13H15IN2O5/c14-9-3-1-8(2-4-9)7-15-13(21)16-10(12(19)20)5-6-11(17)18/h1-4,10H,5-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [131I]DCIT from PSMA in human LNCAP cells				J Med Chem 52: 347-57 (2009) Article DOI: 10.1021/jm800994j BindingDB Entry DOI: 10.7270/Q2V987ZZ
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM103916 (US8562945, 252) Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1 |r,c:27,31,33| Show InChI InChI=1S/C20H31BN4O6.Re/c26-18(23-13-19(27)25-12-6-8-17(25)21(30)31)9-2-1-5-11-24(15-20(28)29)14-16-7-3-4-10-22-16;/h3-4,7,10,17,30-31H,1-2,5-6,8-9,11-15H2,(H,23,26)(H,28,29);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit separase enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM103917 (US8562945, 253) Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21 |c:2,4,32,t:30| Show InChI InChI=1S/C22H36BN7O4.Re/c1-27-13-9-24-19(27)16-29(17-20-25-10-14-28(20)2)11-5-3-4-8-21(31)26-15-22(32)30-12-6-7-18(30)23(33)34;/h9-10,13-14,18,33-34H,3-8,11-12,15-17H2,1-2H3,(H,26,31);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit DPPIV enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM103916 (US8562945, 252) Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1 |r,c:27,31,33| Show InChI InChI=1S/C20H31BN4O6.Re/c26-18(23-13-19(27)25-12-6-8-17(25)21(30)31)9-2-1-5-11-24(15-20(28)29)14-16-7-3-4-10-22-16;/h3-4,7,10,17,30-31H,1-2,5-6,8-9,11-15H2,(H,23,26)(H,28,29);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit DPPIV enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM103918 (US8562945, 254) Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N]12CC3=CC=CC=[N]3[Re+]1[N]1=C(C2)C=CC=C1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C24H34BN5O4.Re/c31-23(28-17-24(32)30-16-8-11-22(30)25(33)34)12-2-1-7-15-29(18-20-9-3-5-13-26-20)19-21-10-4-6-14-27-21;/h3-6,9-10,13-14,22,33-34H,1-2,7-8,11-12,15-19H2,(H,28,31);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit DPPIV enzyme.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair