Compile Data Set for Download or QSAR

Found 21 hits of ic50 data for polymerid = 50000319,50000750   

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
Gastricsin (Homo sapiens (Human))	BDBM50368239 (CHEMBL1169539) Show SMILES CN1CCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O |r| Show InChI InChI=1S/C34H50N6O6/c1-34(2,3)46-33(45)39-27(18-23-13-9-6-10-14-23)30(42)38-28(19-24-20-35-21-36-24)31(43)37-26(17-22-11-7-5-8-12-22)29(41)25-15-16-40(4)32(25)44/h6,9-10,13-14,20-22,25-29,41H,5,7-8,11-12,15-19H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,45)/t25?,26-,27-,28-,29+/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011704 (CHEMBL170504 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1C(=O)[C@@H](CC1(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H54N6O6/c1-35(2,3)48-34(47)41-28(18-24-15-11-8-12-16-24)31(44)40-29(19-25-21-37-22-38-25)32(45)39-27(17-23-13-9-7-10-14-23)30(43)26-20-36(4,5)42(6)33(26)46/h8,11-12,15-16,21-23,26-30,43H,7,9-10,13-14,17-20H2,1-6H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50368240 (CHEMBL1169538) Show SMILES CN1CC[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O |r| Show InChI InChI=1S/C34H50N6O6/c1-34(2,3)46-33(45)39-27(18-23-13-9-6-10-14-23)30(42)38-28(19-24-20-35-21-36-24)31(43)37-26(17-22-11-7-5-8-12-22)29(41)25-15-16-40(4)32(25)44/h6,9-10,13-14,20-22,25-29,41H,5,7-8,11-12,15-19H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,45)/t25-,26+,27+,28+,29+/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011702 (CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1[C@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C Show InChI InChI=1S/C36H52N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h6,8,11-12,15-16,21-23,26-31,43H,1,7,9-10,13-14,17-20H2,2-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,29-,30-,31-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM201 ((2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-ac...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human gastricsin				Bioorg Med Chem Lett 3: 2837-2842 (1993) Article DOI: 10.1016/S0960-894X(01)80775-7 BindingDB Entry DOI: 10.7270/Q22F7NC5
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011694 (CHEMBL354360 | {1-[1-[2-(5-Benzyloxymethyl-1-methy...) Show SMILES CN1[C@H](COCc2ccccc2)C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C42H58N6O7/c1-42(2,3)55-41(53)47-35(21-29-16-10-6-11-17-29)38(50)46-36(22-31-24-43-27-44-31)39(51)45-34(20-28-14-8-5-9-15-28)37(49)33-23-32(48(4)40(33)52)26-54-25-30-18-12-7-13-19-30/h6-7,10-13,16-19,24,27-28,32-37,49H,5,8-9,14-15,20-23,25-26H2,1-4H3,(H,43,44)(H,45,51)(H,46,50)(H,47,53)/t32-,33-,34-,35-,36-,37-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011707 (CHEMBL405692 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1[C@H](CO)C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C35H52N6O7/c1-35(2,3)48-34(47)40-28(16-23-13-9-6-10-14-23)31(44)39-29(17-24-19-36-21-37-24)32(45)38-27(15-22-11-7-5-8-12-22)30(43)26-18-25(20-42)41(4)33(26)46/h6,9-10,13-14,19,21-22,25-30,42-43H,5,7-8,11-12,15-18,20H2,1-4H3,(H,36,37)(H,38,45)(H,39,44)(H,40,47)/t25-,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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011703 (CHEMBL355128 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1CC[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C34H50N6O6/c1-34(2,3)46-33(45)39-27(18-23-13-9-6-10-14-23)30(42)38-28(19-24-20-35-21-36-24)31(43)37-26(17-22-11-7-5-8-12-22)29(41)25-15-16-40(4)32(25)44/h6,9-10,13-14,20-22,25-29,41H,5,7-8,11-12,15-19H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,45)/t25-,26-,27-,28-,29-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1[C@@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C Show InChI InChI=1S/C36H52N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h6,8,11-12,15-16,21-23,26-31,43H,1,7,9-10,13-14,17-20H2,2-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27+,28+,29+,30+,31+/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50368239 (CHEMBL1169539) Show SMILES CN1CCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O |r| Show InChI InChI=1S/C34H50N6O6/c1-34(2,3)46-33(45)39-27(18-23-13-9-6-10-14-23)30(42)38-28(19-24-20-35-21-36-24)31(43)37-26(17-22-11-7-5-8-12-22)29(41)25-15-16-40(4)32(25)44/h6,9-10,13-14,20-22,25-29,41H,5,7-8,11-12,15-19H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,45)/t25?,26-,27-,28-,29+/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011705 (CHEMBL173204 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CN1CCCCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C36H54N6O6/c1-36(2,3)48-35(47)41-29(20-25-15-9-6-10-16-25)32(44)40-30(21-26-22-37-23-38-26)33(45)39-28(19-24-13-7-5-8-14-24)31(43)27-17-11-12-18-42(4)34(27)46/h6,9-10,15-16,22-24,27-31,43H,5,7-8,11-14,17-21H2,1-4H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t27?,28-,29-,30-,31+/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011696 (CHEMBL170772 | {1-[1-[1-Cyclohexylmethyl-2-(1-cycl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(C2CCCCC2)C1=O Show InChI InChI=1S/C39H58N6O6/c1-39(2,3)51-38(50)44-32(22-27-15-9-5-10-16-27)35(47)43-33(23-28-24-40-25-41-28)36(48)42-31(21-26-13-7-4-8-14-26)34(46)30-19-20-45(37(30)49)29-17-11-6-12-18-29/h5,9-10,15-16,24-26,29-34,46H,4,6-8,11-14,17-23H2,1-3H3,(H,40,41)(H,42,48)(H,43,47)(H,44,50)/t30-,31-,32-,33-,34-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011699 (CHEMBL171236 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES COC[C@@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C Show InChI InChI=1S/C36H54N6O7/c1-36(2,3)49-35(47)41-29(17-24-14-10-7-11-15-24)32(44)40-30(18-25-20-37-22-38-25)33(45)39-28(16-23-12-8-6-9-13-23)31(43)27-19-26(21-48-5)42(4)34(27)46/h7,10-11,14-15,20,22-23,26-31,43H,6,8-9,12-13,16-19,21H2,1-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,29-,30-,31-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50011706 (CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...) Show SMILES CCCCN1C(=O)[C@@H](CC1(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H60N6O6/c1-7-8-19-45-36(49)29(23-39(45,5)6)33(46)30(20-26-15-11-9-12-16-26)42-35(48)32(22-28-24-40-25-41-28)43-34(47)31(21-27-17-13-10-14-18-27)44-37(50)51-38(2,3)4/h10,13-14,17-18,24-26,29-33,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,48)(H,43,47)(H,44,50)/t29-,30-,31-,32-,33-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gastricsin				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Gastricsin (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 C				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
Gastricsin (Homo sapiens (Human))	BDBM50427565 (CHEMBL2322896) Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human recombinant pepsin C expressed in Escherichia coli using Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to ...				J Med Chem 56: 2207-17 (2013) Article DOI: 10.1021/jm3017078 BindingDB Entry DOI: 10.7270/Q2FB5487
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50427564 (CHEMBL2322611) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/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 human recombinant pepsin C expressed in Escherichia coli using Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to ...				J Med Chem 56: 2207-17 (2013) Article DOI: 10.1021/jm3017078 BindingDB Entry DOI: 10.7270/Q2FB5487
					More data for this Ligand-Target Pair
Gastricsin (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 C (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
Gastricsin (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 C 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
Gastricsin (Homo sapiens (Human))	BDBM50427040 (CHEMBL2322207) Show SMILES COCCCCC1(CNC(=O)[C@@H]2CNC[C@@H](C2)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB 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 human recombinant pepsin C expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incuba...				J Med Chem 56: 2196-206 (2013) Article DOI: 10.1021/jm301706j BindingDB Entry DOI: 10.7270/Q25X2B8Z
					More data for this Ligand-Target Pair
Gastricsin (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 gastricsin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair