Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P0DJD9   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pepsin A-5 (Homo sapiens (Human))	BDBM50022510 (Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	3.1	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human pepsin at pH 2.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50022510 (Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	3.1	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin D at pH 3.2				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064908 (CHEMBL77353 | {1-[1-((S)-2-Hydroxy-1-propyl-octylc...) Show SMILES CCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C26H51N3O5/c1-10-12-13-14-16-20(30)19(15-11-2)27-23(31)21(17(3)4)28-24(32)22(18(5)6)29-25(33)34-26(7,8)9/h17-22,30H,10-16H2,1-9H3,(H,27,31)(H,28,32)(H,29,33)/t19-,20?,21?,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064905 (CHEMBL305815 | {1-[1-((S)-2-Hydroxy-1-isobutyl-dec...) Show SMILES CCCCCCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C29H57N3O5/c1-11-12-13-14-15-16-17-23(33)22(18-19(2)3)30-26(34)24(20(4)5)31-27(35)25(21(6)7)32-28(36)37-29(8,9)10/h19-25,33H,11-18H2,1-10H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23?,24?,25?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064912 (CHEMBL77718 | {1-[1-((S)-2-Hydroxy-1-isobutyl-octy...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C27H53N3O5/c1-11-12-13-14-15-21(31)20(16-17(2)3)28-24(32)22(18(4)5)29-25(33)23(19(6)7)30-26(34)35-27(8,9)10/h17-23,31H,11-16H2,1-10H3,(H,28,32)(H,29,33)(H,30,34)/t20-,21?,22?,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064909 (CHEMBL78088 | {1-[1-((S)-2-Hydroxy-1-propyl-hexylc...) Show SMILES CCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C24H47N3O5/c1-10-12-14-18(28)17(13-11-2)25-21(29)19(15(3)4)26-22(30)20(16(5)6)27-23(31)32-24(7,8)9/h15-20,28H,10-14H2,1-9H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18?,19?,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064911 (CHEMBL75352 | {1-[1-((S)-2-Hydroxy-1-propyl-decylc...) Show SMILES CCCCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C28H55N3O5/c1-10-12-13-14-15-16-18-22(32)21(17-11-2)29-25(33)23(19(3)4)30-26(34)24(20(5)6)31-27(35)36-28(7,8)9/h19-24,32H,10-18H2,1-9H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22?,23?,24?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064910 (CHEMBL80715 | {1-[1-((S)-2-Hydroxy-1-isobutyl-hexy...) Show SMILES CCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C25H49N3O5/c1-11-12-13-19(29)18(14-15(2)3)26-22(30)20(16(4)5)27-23(31)21(17(6)7)28-24(32)33-25(8,9)10/h15-21,29H,11-14H2,1-10H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19?,20?,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against pepsin				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50066260 (CHEMBL3400435) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human pepsin A				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064906 (CHEMBL309041 | {1-[1-((S)-1-sec-Butyl-2-hydroxy-de...) Show SMILES CCCCCCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)CC Show InChI InChI=1S/C29H57N3O5/c1-11-13-14-15-16-17-18-22(33)25(21(7)12-2)31-26(34)23(19(3)4)30-27(35)24(20(5)6)32-28(36)37-29(8,9)10/h19-25,33H,11-18H2,1-10H3,(H,30,35)(H,31,34)(H,32,36)/t21?,22?,23?,24?,25-/m0/s1	PDB MMDB 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
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50064907 (CHEMBL73965 | {1-[1-((S)-1-sec-Butyl-2-hydroxy-oct...) Show SMILES CCCCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)CC Show InChI InChI=1S/C27H53N3O5/c1-11-13-14-15-16-20(31)23(19(7)12-2)29-24(32)21(17(3)4)28-25(33)22(18(5)6)30-26(34)35-27(8,9)10/h17-23,31H,11-16H2,1-10H3,(H,28,33)(H,29,32)(H,30,34)/t19?,20?,21?,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant pepsinogen A expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS substrate by fl...				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50065660 (CHEMBL3403995) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of pepsin A (unknown origin)				Bioorg Med Chem Lett 25: 1787-91 (2015) Article DOI: 10.1016/j.bmcl.2015.02.040 BindingDB Entry DOI: 10.7270/Q2RF5WPJ
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50369360 (CHEMBL1790562) Show SMILES CCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)[C@H](C)CC Show InChI InChI=1S/C25H49N3O5/c1-11-13-14-18(29)21(17(7)12-2)27-22(30)19(15(3)4)26-23(31)20(16(5)6)28-24(32)33-25(8,9)10/h15-21,29H,11-14H2,1-10H3,(H,26,31)(H,27,30)(H,28,32)/t17-,18?,19?,20?,21+/m1/s1	PDB MMDB 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
Institute of Pharmaceutical Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)				J Med Chem 41: 2339-44 (1998) Article DOI: 10.1021/jm980015w BindingDB Entry DOI: 10.7270/Q2PC332W
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045683 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Selectivity against human pepsin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50006844 ((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL					Assay Description Inhibitory activity against pepsin.				J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50008520 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...) Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,27+,28+,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of pepsin				J Med Chem 35: 559-67 (1992) BindingDB Entry DOI: 10.7270/Q24748TV
					More data for this Ligand-Target Pair