Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'kirchmayer' and Initial = 'r'   

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
Pepsin A (Porcine)	BDBM50077623 (CHEMBL63831 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077620 (CHEMBL62319 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C30H51N3O5/c1-8-9-10-14-17-25(34)24(18-20(2)3)31-28(35)26(21(4)5)32-29(36)27(22(6)7)33-30(37)38-19-23-15-12-11-13-16-23/h11-13,15-16,20-22,24-27,34H,8-10,14,17-19H2,1-7H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25?,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077624 ((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C31H53N3O4/c1-8-9-10-14-17-26(35)25(20-21(2)3)32-30(37)29(23(6)7)34-31(38)28(22(4)5)33-27(36)19-18-24-15-12-11-13-16-24/h11-13,15-16,21-23,25-26,28-29,35H,8-10,14,17-20H2,1-7H3,(H,32,37)(H,33,36)(H,34,38)/t25-,26?,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077622 ((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...) Show SMILES CCCCCCC(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 Show InChI InChI=1S/C27H53N3O4/c1-10-11-12-13-14-22(31)21(15-17(2)3)28-26(33)25(20(8)9)30-27(34)24(19(6)7)29-23(32)16-18(4)5/h17-22,24-25,31H,10-16H2,1-9H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22?,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077626 (CHEMBL294529 | N-{(S)-1-[(S)-1-((S)-2-Hydroxy-1-is...) Show SMILES CCCCCCC(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 Show InChI InChI=1S/C28H55N3O4/c1-11-12-13-14-15-22(32)21(16-18(2)3)29-26(34)25(20(6)7)31-27(35)24(19(4)5)30-23(33)17-28(8,9)10/h18-22,24-25,32H,11-17H2,1-10H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22?,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077618 (CHEMBL64893 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C26H51N3O5/c1-10-11-12-13-14-21(30)20(15-16(2)3)27-24(31)22(17(4)5)28-25(32)23(18(6)7)29-26(33)34-19(8)9/h16-23,30H,10-15H2,1-9H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21?,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077625 ((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC)C(C)C)C(C)C Show InChI InChI=1S/C25H49N3O4/c1-9-11-12-13-14-20(29)19(15-16(3)4)26-24(31)23(18(7)8)28-25(32)22(17(5)6)27-21(30)10-2/h16-20,22-23,29H,9-15H2,1-8H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20?,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50077621 ((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...) Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C26H51N3O4/c1-10-11-12-13-14-21(30)20(15-16(2)3)27-25(32)22(17(4)5)29-26(33)23(18(6)7)28-24(31)19(8)9/h16-23,30H,10-15H2,1-9H3,(H,27,32)(H,28,31)(H,29,33)/t20-,21?,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL					Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase				J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J
					More data for this Ligand-Target Pair