Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'antunes' and Initial = 'oa'   

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
Kallikrein-7 (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391078 (CHEMBL2087346) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r| Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391078 (CHEMBL2087346) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r| Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391079 (CHEMBL2087347) Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391077 (CHEMBL2087345) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r| Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391079 (CHEMBL2087347) Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391077 (CHEMBL2087345) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r| Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481018 (CHEMBL568883) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C64H82N4O10S2/c1-41(2)55(67-59(71)49(39-79(75,76)63(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)61(73)65-53(35-43-23-13-11-14-24-43)57(69)58(70)54(36-44-25-15-12-16-26-44)66-62(74)56(42(3)4)68-60(72)50(40-80(77,78)64(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-58,69-70H,35-40H2,1-10H3,(H,65,73)(H,66,74)(H,67,71)(H,68,72)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481028 (CHEMBL566620) Show SMILES CCC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)CC |r| Show InChI InChI=1S/C66H86N4O10S2/c1-11-43(3)57(69-61(73)51(41-81(77,78)65(5,6)7)39-49-33-23-31-47-29-19-21-35-53(47)49)63(75)67-55(37-45-25-15-13-16-26-45)59(71)60(72)56(38-46-27-17-14-18-28-46)68-64(76)58(44(4)12-2)70-62(74)52(42-82(79,80)66(8,9)10)40-50-34-24-32-48-30-20-22-36-54(48)50/h13-36,43-44,51-52,55-60,71-72H,11-12,37-42H2,1-10H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t43?,44?,51-,52-,55+,56+,57+,58+,59-,60-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481036 (CHEMBL568589) Show SMILES CC(O)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)O |r| Show InChI InChI=1S/C62H78N4O12S2/c1-39(67)53(65-57(71)47(37-79(75,76)61(3,4)5)35-45-29-19-27-43-25-15-17-31-49(43)45)59(73)63-51(33-41-21-11-9-12-22-41)55(69)56(70)52(34-42-23-13-10-14-24-42)64-60(74)54(40(2)68)66-58(72)48(38-80(77,78)62(6,7)8)36-46-30-20-28-44-26-16-18-32-50(44)46/h9-32,39-40,47-48,51-56,67-70H,33-38H2,1-8H3,(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t39?,40?,47-,48-,51+,52+,53+,54+,55-,56-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481029 (CHEMBL569671) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C1CCCC1 |r| Show InChI InChI=1S/C68H86N4O10S2/c1-67(2,3)83(79,80)43-53(41-51-35-21-33-47-27-17-19-37-55(47)51)63(75)71-59(49-29-13-14-30-49)65(77)69-57(39-45-23-9-7-10-24-45)61(73)62(74)58(40-46-25-11-8-12-26-46)70-66(78)60(50-31-15-16-32-50)72-64(76)54(44-84(81,82)68(4,5)6)42-52-36-22-34-48-28-18-20-38-56(48)52/h7-12,17-28,33-38,49-50,53-54,57-62,73-74H,13-16,29-32,39-44H2,1-6H3,(H,69,77)(H,70,78)(H,71,75)(H,72,76)/t53-,54-,57+,58+,59+,60+,61-,62-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481014 (CHEMBL568951) Show SMILES COc1ccc(C[C@H](CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)CS(=O)(=O)C(C)(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C58H82N4O12S2/c1-37(2)49(61-53(65)43(35-75(69,70)57(5,6)7)31-41-23-27-45(73-11)28-24-41)55(67)59-47(33-39-19-15-13-16-20-39)51(63)52(64)48(34-40-21-17-14-18-22-40)60-56(68)50(38(3)4)62-54(66)44(36-76(71,72)58(8,9)10)32-42-25-29-46(74-12)30-26-42/h13-30,37-38,43-44,47-52,63-64H,31-36H2,1-12H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t43-,44-,47+,48+,49+,50+,51-,52-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.339	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481020 (CHEMBL565964) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1cccc2OCOc12)[C@@H](O)[C@H](O)[C@H](Cc1cccc2OCOc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C66H82N4O14S2/c1-39(2)55(69-61(73)47(35-85(77,78)65(5,6)7)31-43-23-15-21-41-19-11-13-27-49(41)43)63(75)67-51(33-45-25-17-29-53-59(45)83-37-81-53)57(71)58(72)52(34-46-26-18-30-54-60(46)84-38-82-54)68-64(76)56(40(3)4)70-62(74)48(36-86(79,80)66(8,9)10)32-44-24-16-22-42-20-12-14-28-50(42)44/h11-30,39-40,47-48,51-52,55-58,71-72H,31-38H2,1-10H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t47-,48-,51+,52+,55+,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481023 (CHEMBL566849) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C |r| Show InChI InChI=1S/C64H82N4O10S2/c1-9-23-53(65-59(71)49(41-79(75,76)63(3,4)5)39-47-33-21-31-45-29-17-19-35-51(45)47)61(73)67-55(37-43-25-13-11-14-26-43)57(69)58(70)56(38-44-27-15-12-16-28-44)68-62(74)54(24-10-2)66-60(72)50(42-80(77,78)64(6,7)8)40-48-34-22-32-46-30-18-20-36-52(46)48/h11-22,25-36,49-50,53-58,69-70H,9-10,23-24,37-42H2,1-8H3,(H,65,71)(H,66,72)(H,67,73)(H,68,74)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481040 (CHEMBL566842) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C66H86N4O10S2/c1-63(2,3)57(69-59(73)49(41-81(77,78)65(7,8)9)39-47-33-23-31-45-29-19-21-35-51(45)47)61(75)67-53(37-43-25-15-13-16-26-43)55(71)56(72)54(38-44-27-17-14-18-28-44)68-62(76)58(64(4,5)6)70-60(74)50(42-82(79,80)66(10,11)12)40-48-34-24-32-46-30-20-22-36-52(46)48/h13-36,49-50,53-58,71-72H,37-42H2,1-12H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t49-,50-,53+,54+,55-,56-,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481024 (CHEMBL566902) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C |r| Show InChI InChI=1S/C64H78N4O14S2/c1-63(2,3)83(79,80)39-47(37-45-27-17-25-43-23-13-15-29-49(43)45)59(75)65-51(31-33-55(69)70)61(77)67-53(35-41-19-9-7-10-20-41)57(73)58(74)54(36-42-21-11-8-12-22-42)68-62(78)52(32-34-56(71)72)66-60(76)48(40-84(81,82)64(4,5)6)38-46-28-18-26-44-24-14-16-30-50(44)46/h7-30,47-48,51-54,57-58,73-74H,31-40H2,1-6H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,70)(H,71,72)/t47-,48-,51+,52+,53+,54+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.741	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481017 (CHEMBL568840) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NS(C)(=O)=O)C(C)C |r| Show InChI InChI=1S/C56H68N6O10S2/c1-35(2)49(59-53(65)47(61-73(5,69)70)33-41-27-17-25-39-23-13-15-29-43(39)41)55(67)57-45(31-37-19-9-7-10-20-37)51(63)52(64)46(32-38-21-11-8-12-22-38)58-56(68)50(36(3)4)60-54(66)48(62-74(6,71)72)34-42-28-18-26-40-24-14-16-30-44(40)42/h7-30,35-36,45-52,61-64H,31-34H2,1-6H3,(H,57,67)(H,58,68)(H,59,65)(H,60,66)/t45-,46-,47-,48-,49-,50-,51+,52+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481015 (CHEMBL568832) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C54H76N6O10S2/c1-35(2)45(59-49(63)41(29-39-21-25-55-26-22-39)33-71(67,68)53(5,6)7)51(65)57-43(31-37-17-13-11-14-18-37)47(61)48(62)44(32-38-19-15-12-16-20-38)58-52(66)46(36(3)4)60-50(64)42(30-40-23-27-56-28-24-40)34-72(69,70)54(8,9)10/h11-28,35-36,41-48,61-62H,29-34H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t41-,42-,43+,44+,45+,46+,47-,48-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481025 (CHEMBL567444) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C46H60N6O6/c1-29(2)39(51-43(55)35(47)25-31-17-9-5-10-18-31)45(57)49-37(27-33-21-13-7-14-22-33)41(53)42(54)38(28-34-23-15-8-16-24-34)50-46(58)40(30(3)4)52-44(56)36(48)26-32-19-11-6-12-20-32/h5-24,29-30,35-42,53-54H,25-28,47-48H2,1-4H3,(H,49,57)(H,50,58)(H,51,55)(H,52,56)/t35-,36-,37-,38-,39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.851	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481033 (CHEMBL565528) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)O)C(C)C |r| Show InChI InChI=1S/C56H76N6O18/c1-29(2)39(61-49(71)37(27-33-21-13-7-14-22-33)59-53(75)45(67)43(65)47(69)55(77)78)51(73)57-35(25-31-17-9-5-10-18-31)41(63)42(64)36(26-32-19-11-6-12-20-32)58-52(74)40(30(3)4)62-50(72)38(28-34-23-15-8-16-24-34)60-54(76)46(68)44(66)48(70)56(79)80/h5-24,29-30,35-48,55-56,63-70,77-80H,25-28H2,1-4H3,(H,57,73)(H,58,74)(H,59,75)(H,60,76)(H,61,71)(H,62,72)/t35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.891	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481035 (CHEMBL569670) Show SMILES CCCCC[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C)[C@@H](O)[C@H](O)[C@H](CCCCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C60H90N4O10S2/c1-13-15-17-33-49(61-57(69)51(39(3)4)63-55(67)45(37-75(71,72)59(7,8)9)35-43-29-23-27-41-25-19-21-31-47(41)43)53(65)54(66)50(34-18-16-14-2)62-58(70)52(40(5)6)64-56(68)46(38-76(73,74)60(10,11)12)36-44-30-24-28-42-26-20-22-32-48(42)44/h19-32,39-40,45-46,49-54,65-66H,13-18,33-38H2,1-12H3,(H,61,69)(H,62,70)(H,63,67)(H,64,68)/t45-,46-,49-,50+,51-,52+,53-,54-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481037 (CHEMBL569236) Show SMILES CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1cccnc1)C(C)C |r| Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-17-11-19-43-23-31)39(51)45-33(21-29-13-7-5-8-14-29)37(49)38(50)34(22-30-15-9-6-10-16-30)46-40(52)36(28(3)4)48-42(54)56-26-32-18-12-20-44-24-32/h5-20,23-24,27-28,33-38,49-50H,21-22,25-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35-,36-,37+,38+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481032 (CHEMBL569569) Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C50H62N4O10/c1-31(2)43(53-47(61)37(29-41(55)56)25-33-17-9-5-10-18-33)49(63)51-39(27-35-21-13-7-14-22-35)45(59)46(60)40(28-36-23-15-8-16-24-36)52-50(64)44(32(3)4)54-48(62)38(30-42(57)58)26-34-19-11-6-12-20-34/h5-24,31-32,37-40,43-46,59-60H,25-30H2,1-4H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,56)(H,57,58)/t37-,38-,39+,40+,43+,44+,45-,46-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481022 (CHEMBL568365) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C1CCCCC1 |r| Show InChI InChI=1S/C70H90N4O10S2/c1-69(2,3)85(81,82)45-55(43-53-37-23-35-49-29-19-21-39-57(49)53)65(77)73-61(51-31-15-9-16-32-51)67(79)71-59(41-47-25-11-7-12-26-47)63(75)64(76)60(42-48-27-13-8-14-28-48)72-68(80)62(52-33-17-10-18-34-52)74-66(78)56(46-86(83,84)70(4,5)6)44-54-38-24-36-50-30-20-22-40-58(50)54/h7-8,11-14,19-30,35-40,51-52,55-56,59-64,75-76H,9-10,15-18,31-34,41-46H2,1-6H3,(H,71,79)(H,72,80)(H,73,77)(H,74,78)/t55-,56-,59+,60+,61+,62+,63-,64-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM586099 (BDBM50064200 | TL-3) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481019 (CHEMBL571731) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NC[C@@H](O)[C@H](O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C50H70N4O10S2/c1-31(2)43(53-45(57)37(29-65(61,62)49(5,6)7)25-35-21-15-19-33-17-11-13-23-39(33)35)47(59)51-27-41(55)42(56)28-52-48(60)44(32(3)4)54-46(58)38(30-66(63,64)50(8,9)10)26-36-22-16-20-34-18-12-14-24-40(34)36/h11-24,31-32,37-38,41-44,55-56H,25-30H2,1-10H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)/t37-,38-,41-,42-,43+,44+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481031 (CHEMBL567043) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C64H82N4O12S2/c1-39(2)55(67-59(73)47(37-81(77,78)63(5,6)7)35-45-21-15-19-43-17-11-13-23-51(43)45)61(75)65-53(33-41-25-29-49(69)30-26-41)57(71)58(72)54(34-42-27-31-50(70)32-28-42)66-62(76)56(40(3)4)68-60(74)48(38-82(79,80)64(8,9)10)36-46-22-16-20-44-18-12-14-24-52(44)46/h11-32,39-40,47-48,53-58,69-72H,33-38H2,1-10H3,(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t47-,48-,53+,54+,55-,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481041 (CHEMBL569673) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C56H78N4O10S2/c1-37(2)47(59-51(63)43(31-39-23-15-11-16-24-39)35-71(67,68)55(5,6)7)53(65)57-45(33-41-27-19-13-20-28-41)49(61)50(62)46(34-42-29-21-14-22-30-42)58-54(66)48(38(3)4)60-52(64)44(32-40-25-17-12-18-26-40)36-72(69,70)56(8,9)10/h11-30,37-38,43-50,61-62H,31-36H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t43-,44-,45+,46+,47+,48+,49-,50-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481016 (CHEMBL568817) Show SMILES CC(C)[C@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C42H66N4O10S2/c1-27(2)35(45-33(47)21-23-57(53,54)41(5,6)7)39(51)43-31(25-29-17-13-11-14-18-29)37(49)38(50)32(26-30-19-15-12-16-20-30)44-40(52)36(28(3)4)46-34(48)22-24-58(55,56)42(8,9)10/h11-20,27-28,31-32,35-38,49-50H,21-26H2,1-10H3,(H,43,51)(H,44,52)(H,45,47)(H,46,48)/t31-,32-,35-,36-,37+,38+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481038 (CHEMBL568977) Show SMILES CC(C)[C@H](NC(=O)CCS(=O)(=O)c1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCS(=O)(=O)c1ccncc1)C(C)C |r| Show InChI InChI=1S/C44H56N6O10S2/c1-29(2)39(49-37(51)19-25-61(57,58)33-15-21-45-22-16-33)43(55)47-35(27-31-11-7-5-8-12-31)41(53)42(54)36(28-32-13-9-6-10-14-32)48-44(56)40(30(3)4)50-38(52)20-26-62(59,60)34-17-23-46-24-18-34/h5-18,21-24,29-30,35-36,39-42,53-54H,19-20,25-28H2,1-4H3,(H,47,55)(H,48,56)(H,49,51)(H,50,52)/t35-,36-,39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM198 ((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481027 (CHEMBL566839) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc3ccccc23)CS(=O)(=O)C(C)(C)C)C(C)C)[C@@H](O)[C@H](O)[C@H](Cc2ccc(OC)cc2OC)NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc3ccccc23)CS(=O)(=O)C(C)(C)C)C(C)C)c(OC)c1 |r| Show InChI InChI=1S/C68H90N4O14S2/c1-41(2)59(71-63(75)49(39-87(79,80)67(5,6)7)33-45-25-19-23-43-21-15-17-27-53(43)45)65(77)69-55(35-47-29-31-51(83-11)37-57(47)85-13)61(73)62(74)56(36-48-30-32-52(84-12)38-58(48)86-14)70-66(78)60(42(3)4)72-64(76)50(40-88(81,82)68(8,9)10)34-46-26-20-24-44-22-16-18-28-54(44)46/h15-32,37-38,41-42,49-50,55-56,59-62,73-74H,33-36,39-40H2,1-14H3,(H,69,77)(H,70,78)(H,71,75)(H,72,76)/t49-,50-,55+,56+,59+,60+,61-,62-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481030 (CHEMBL570827) Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C46H58N4O8/c1-29(2)39(49-43(55)37(51)27-33-21-13-7-14-22-33)45(57)47-35(25-31-17-9-5-10-18-31)41(53)42(54)36(26-32-19-11-6-12-20-32)48-46(58)40(30(3)4)50-44(56)38(52)28-34-23-15-8-16-24-34/h5-24,29-30,35-42,51-54H,25-28H2,1-4H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)/t35-,36-,37-,38-,39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481013 (CHEMBL569111) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C |r| Show InChI InChI=1S/C52H58N4O8/c1-33(2)47(55-45(57)31-63-43-27-15-23-37-21-11-13-25-39(37)43)51(61)53-41(29-35-17-7-5-8-18-35)49(59)50(60)42(30-36-19-9-6-10-20-36)54-52(62)48(34(3)4)56-46(58)32-64-44-28-16-24-38-22-12-14-26-40(38)44/h5-28,33-34,41-42,47-50,59-60H,29-32H2,1-4H3,(H,53,61)(H,54,62)(H,55,57)(H,56,58)/t41-,42-,47-,48-,49+,50+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481034 (CHEMBL567500) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C |r| Show InChI InChI=1S/C62H76N6O12S2/c1-61(2,3)81(77,78)37-45(33-43-27-17-25-41-23-13-15-29-47(41)43)57(73)67-51(35-53(63)69)59(75)65-49(31-39-19-9-7-10-20-39)55(71)56(72)50(32-40-21-11-8-12-22-40)66-60(76)52(36-54(64)70)68-58(74)46(38-82(79,80)62(4,5)6)34-44-28-18-26-42-24-14-16-30-48(42)44/h7-30,45-46,49-52,55-56,71-72H,31-38H2,1-6H3,(H2,63,69)(H2,64,70)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t45-,46-,49+,50+,51+,52+,55-,56-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481021 (CHEMBL565766) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CCc1ccncc1)[C@@H](O)[C@H](O)[C@H](CCc1ccncc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C64H84N6O10S2/c1-41(2)55(69-59(73)49(39-81(77,78)63(5,6)7)37-47-21-15-19-45-17-11-13-23-51(45)47)61(75)67-53(27-25-43-29-33-65-34-30-43)57(71)58(72)54(28-26-44-31-35-66-36-32-44)68-62(76)56(42(3)4)70-60(74)50(40-82(79,80)64(8,9)10)38-48-22-16-20-46-18-12-14-24-52(46)48/h11-24,29-36,41-42,49-50,53-58,71-72H,25-28,37-40H2,1-10H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481039 (CHEMBL569672) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C |r| Show InChI InChI=1S/C66H78N8O10S2/c1-65(2,3)85(81,82)39-49(33-47-27-17-25-45-23-13-15-29-53(45)47)61(77)73-57(35-51-37-67-41-69-51)63(79)71-55(31-43-19-9-7-10-20-43)59(75)60(76)56(32-44-21-11-8-12-22-44)72-64(80)58(36-52-38-68-42-70-52)74-62(78)50(40-86(83,84)66(4,5)6)34-48-28-18-26-46-24-14-16-30-54(46)48/h7-30,37-38,41-42,49-50,55-60,75-76H,31-36,39-40H2,1-6H3,(H,67,69)(H,68,70)(H,71,79)(H,72,80)(H,73,77)(H,74,78)/t49-,50-,55+,56+,57+,58+,59-,60-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481026 (CHEMBL569573) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C66H86N4O10S2/c1-43(2)57(69-61(73)51(41-81(77,78)65(5,6)7)39-49-31-21-29-47-27-17-19-33-53(47)49)63(75)67-55(37-35-45-23-13-11-14-24-45)59(71)60(72)56(38-36-46-25-15-12-16-26-46)68-64(76)58(44(3)4)70-62(74)52(42-82(79,80)66(8,9)10)40-50-32-22-30-48-28-18-20-34-54(48)50/h11-34,43-44,51-52,55-60,71-72H,35-42H2,1-10H3,(H,67,75)(H,68,76)(H,69,73)(H,70,74)/t51-,52-,55+,56+,57+,58+,59-,60-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391078 (CHEMBL2087346) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r| Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391078 (CHEMBL2087346) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r| Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391079 (CHEMBL2087347) Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391079 (CHEMBL2087347) Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391077 (CHEMBL2087345) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r| Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50391077 (CHEMBL2087345) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r| Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair

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