Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'oefner' and Initial = 'c'   

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
Renin (Homo sapiens (Human))	BDBM50077669 ((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...) Show SMILES CC(C)(C)S(=O)(=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)C1CC1 Show InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077702 (4-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-5...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](CSc2ccncc2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C38H40N2O3S/c1-2-7-29(8-3-1)26-41-21-6-22-42-35-15-13-32(14-16-35)38-34(28-44-36-17-19-39-20-18-36)24-40-25-37(38)43-27-30-11-12-31-9-4-5-10-33(31)23-30/h1-5,7-20,23,34,37-38,40H,6,21-22,24-28H2/t34-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077693 ((3'R,4'R)-3'-(1,4-Dimethoxy-naphthalen-2-ylmethoxy...) Show SMILES COc1ccccc1COCCCOc1ccc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C34H40N2O6/c1-37-30-12-7-4-9-25(30)22-40-17-8-18-41-33-14-13-24(20-36-33)27-15-16-35-21-32(27)42-23-26-19-31(38-2)28-10-5-6-11-29(28)34(26)39-3/h4-7,9-14,19-20,27,32,35H,8,15-18,21-23H2,1-3H3/t27-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077699 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C32H40N2O4/c1-35-31-8-3-2-6-27(31)23-36-18-5-19-37-28-13-11-25(12-14-28)29-15-17-33-21-32(29)38-22-24-9-10-26-7-4-16-34-30(26)20-24/h2-3,6,8-14,20,29,32-34H,4-5,7,15-19,21-23H2,1H3/t29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077692 ((3R,4R,5S)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(n...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](Cn2cncn2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C35H38N4O3/c1-2-7-27(8-3-1)23-40-17-6-18-41-33-15-13-30(14-16-33)35-32(22-39-26-37-25-38-39)20-36-21-34(35)42-24-28-11-12-29-9-4-5-10-31(29)19-28/h1-5,7-16,19,25-26,32,34-36H,6,17-18,20-24H2/t32-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077688 ((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C33H37NO4/c1-35-32-10-5-4-9-29(32)24-36-19-6-20-37-30-15-13-27(14-16-30)31-17-18-34-22-33(31)38-23-25-11-12-26-7-2-3-8-28(26)21-25/h2-5,7-16,21,31,33-34H,6,17-20,22-24H2,1H3/t31-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077703 (4-{2-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@@H](CNC[C@@H]1OCc1ccc2ccccc2c1)OCCN1CCOCC1 Show InChI InChI=1S/C38H46N2O5/c1-2-7-30(8-3-1)28-42-20-6-21-43-35-15-13-33(14-16-35)38-36(44-24-19-40-17-22-41-23-18-40)26-39-27-37(38)45-29-31-11-12-32-9-4-5-10-34(32)25-31/h1-5,7-16,25,36-39H,6,17-24,26-29H2/t36-,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077704 (CHEMBL31880 | Sulfuric acid mono-[(3S,4R,5R)-4-[4-...) Show SMILES OS(=O)(=O)OC[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C33H37NO7S/c35-42(36,37)41-24-30-20-34-21-32(40-23-26-11-12-27-9-4-5-10-29(27)19-26)33(30)28-13-15-31(16-14-28)39-18-6-17-38-22-25-7-2-1-3-8-25/h1-5,7-16,19,30,32-34H,6,17-18,20-24H2,(H,35,36,37)/t30-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077709 (4-{2-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](COCCN2CCOCC2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C39H48N2O5/c1-2-7-31(8-3-1)28-43-20-6-21-45-37-15-13-34(14-16-37)39-36(30-44-24-19-41-17-22-42-23-18-41)26-40-27-38(39)46-29-32-11-12-33-9-4-5-10-35(33)25-32/h1-5,7-16,25,36,38-40H,6,17-24,26-30H2/t36-,38-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077695 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2cccnc2c1 Show InChI InChI=1S/C32H36N2O4/c1-35-31-8-3-2-6-27(31)23-36-18-5-19-37-28-13-11-25(12-14-28)29-15-17-33-21-32(29)38-22-24-9-10-26-7-4-16-34-30(26)20-24/h2-4,6-14,16,20,29,32-33H,5,15,17-19,21-23H2,1H3/t29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077694 (7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-pipe...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C31H38N2O3/c1-2-6-24(7-3-1)22-34-18-5-19-35-28-13-11-26(12-14-28)29-15-17-32-21-31(29)36-23-25-9-10-27-8-4-16-33-30(27)20-25/h1-3,6-7,9-14,20,29,31-33H,4-5,8,15-19,21-23H2/t29-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077705 ((3S,4S,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-5-(n...) Show SMILES O[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C32H35NO4/c34-30-20-33-21-31(37-23-25-11-12-26-9-4-5-10-28(26)19-25)32(30)27-13-15-29(16-14-27)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-16,19,30-34H,6,17-18,20-23H2/t30-,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077697 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(=O)[nH]c2c1 Show InChI InChI=1S/C32H36N2O5/c1-36-30-6-3-2-5-26(30)22-37-17-4-18-38-27-12-9-24(10-13-27)28-15-16-33-20-31(28)39-21-23-7-8-25-11-14-32(35)34-29(25)19-23/h2-3,5-14,19,28,31,33H,4,15-18,20-22H2,1H3,(H,34,35)/t28-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077689 ((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077707 ((3R,4S,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-5-(n...) Show SMILES O[C@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C32H35NO4/c34-30-20-33-21-31(37-23-25-11-12-26-9-4-5-10-28(26)19-25)32(30)27-13-15-29(16-14-27)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-16,19,30-34H,6,17-18,20-23H2/t30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077698 (5-[(3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy...) Show SMILES COc1ccccc1COCCCOc1ncc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C33H39N3O6/c1-37-29-12-7-4-9-23(29)21-40-15-8-16-41-33-35-18-25(19-36-33)26-13-14-34-20-31(26)42-22-24-17-30(38-2)27-10-5-6-11-28(27)32(24)39-3/h4-7,9-12,17-19,26,31,34H,8,13-16,20-22H2,1-3H3/t26-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077696 (4-[2-(7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(OCCN3CCOCC3)cc2c1 Show InChI InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-10-33(11-13-35)37-15-16-39-27-38(37)45-29-31-7-8-32-9-14-36(26-34(32)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2/t37-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077706 (7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-pipe...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2cccnc2c1 Show InChI InChI=1S/C31H34N2O3/c1-2-6-24(7-3-1)22-34-18-5-19-35-28-13-11-26(12-14-28)29-15-17-32-21-31(29)36-23-25-9-10-27-8-4-16-33-30(27)20-25/h1-4,6-14,16,20,29,31-32H,5,15,17-19,21-23H2/t29-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067060 (CHEMBL128523 | Sodium; (1S,5R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077708 (4-[2-(6-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2cc(OCCN3CCOCC3)ccc2c1 Show InChI InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-9-32(10-13-35)37-15-16-39-27-38(37)45-29-31-7-8-34-26-36(14-11-33(34)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2/t37-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067058 (CHEMBL338157 | Sodium; (1S,5R)-2-(3-carbamoyl-phen...) Show SMILES NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-2-1-3-8(6-7)15-13(20)16-5-4-9-10(16)12(19)17(9)24(21,22)23/h1-3,6,9-10H,4-5H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067055 (CHEMBL338933 | Sodium; (1S,5R)-2-[2-(4-hydroxy-phe...) Show SMILES Oc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H15N3O6S/c17-9-3-1-8(2-4-9)14-7-11(18)15-6-5-10-12(15)13(19)16(10)23(20,21)22/h1-4,10,12,14,17H,5-7H2,(H,20,21,22)/p-1/t10-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077682 (Benzoic acid 2-{4-[(3R,4R)-3-(naphthalen-2-ylmetho...) Show SMILES O=C(OCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C31H31NO4/c33-31(26-7-2-1-3-8-26)35-19-18-34-28-14-12-25(13-15-28)29-16-17-32-21-30(29)36-22-23-10-11-24-6-4-5-9-27(24)20-23/h1-15,20,29-30,32H,16-19,21-22H2/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50408523 (CHEMBL2079714) Show SMILES [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-12(19)8-2-1-4-15(6-8)7-10(18)16-5-3-9-11(16)13(20)17(9)24(21,22)23/h1-2,4,6,9,11H,3,5,7H2,(H2-,14,19,21,22,23)/p-1/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067053 (CHEMBL127782 | Sodium; (1S,5R)-2-benzyloxycarbonyl...) Show SMILES NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H15N3O7S/c16-11(19)6-10-7-17(13-12(10)18(14(13)20)26(22,23)24)15(21)25-8-9-4-2-1-3-5-9/h1-6,12-13H,7-8H2,(H2,16,19)(H,22,23,24)/p-1/b10-6+/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067066 (CHEMBL340707 | Sodium; (1S,4R,5S)-2-benzyloxycarbo...) Show SMILES Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H16N6O6S2/c1-19-14(16-17-18-19)28-10-7-20(12-11(10)21(13(12)22)29(24,25)26)15(23)27-8-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,24,25,26)/p-1/t10-,11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077699 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C32H40N2O4/c1-35-31-8-3-2-6-27(31)23-36-18-5-19-37-28-13-11-25(12-14-28)29-15-17-33-21-32(29)38-22-24-9-10-26-7-4-16-34-30(26)20-24/h2-3,6,8-14,20,29,32-34H,4-5,7,15-19,21-23H2,1H3/t29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067050 (CHEMBL336630 | Sodium; (1S,5R)-7-oxo-2-(piperidin-...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/p-1/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077671 ((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(3-phenyl-...) Show SMILES C(Oc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C31H29N3O3/c1-2-7-25(8-3-1)31-33-30(37-34-31)21-35-27-14-12-24(13-15-27)28-16-17-32-19-29(28)36-20-22-10-11-23-6-4-5-9-26(23)18-22/h1-15,18,28-29,32H,16-17,19-21H2/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17871 ((1S)-1-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]-...) Show SMILES CSCC[C@H](N)c1nnc(SCc2ccccc2)[nH]1 |r| Show InChI InChI=1S/C13H18N4S2/c1-18-8-7-11(14)12-15-13(17-16-12)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43.7	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Mol Biol 332: 13-21 (2003) Article DOI: 10.1016/s0022-2836(03)00862-3 BindingDB Entry DOI: 10.7270/Q2C53J49
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067051 (CHEMBL130187 | Sodium; (1S,5R)-7-oxo-2-(4-ureido-p...) Show SMILES NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H15N5O6S/c14-12(20)15-7-1-3-8(4-2-7)16-13(21)17-6-5-9-10(17)11(19)18(9)25(22,23)24/h1-4,9-10H,5-6H2,(H,16,21)(H3,14,15,20)(H,22,23,24)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077690 ((3R,4R)-4-[4-(2-Benzyloxy-ethoxy)-phenyl]-3-(napht...) Show SMILES C(COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)OCc1ccccc1 Show InChI InChI=1S/C31H33NO3/c1-2-6-24(7-3-1)22-33-18-19-34-29-14-12-27(13-15-29)30-16-17-32-21-31(30)35-23-25-10-11-26-8-4-5-9-28(26)20-25/h1-15,20,30-32H,16-19,21-23H2/t30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067047 (CHEMBL341484 | Sodium; (1S,5R)-2-[2-(2,6-dimethyl-...) Show SMILES Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O Show InChI InChI=1S/C12H15N5O6S2/c1-6-10(19)13-12(15(2)14-6)24-5-8(18)16-4-3-7-9(16)11(20)17(7)25(21,22)23/h7,9H,3-5H2,1-2H3,(H,21,22,23)/p-1/t7-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077679 (Benzoic acid 4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)...) Show SMILES O=C(OCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C30H29NO3/c32-30(26-7-2-1-3-8-26)34-20-22-10-14-25(15-11-22)28-16-17-31-19-29(28)33-21-23-12-13-24-6-4-5-9-27(24)18-23/h1-15,18,28-29,31H,16-17,19-21H2/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077685 (3-Methoxy-benzoic acid 4-[(3R,4R)-3-(naphthalen-2-...) Show SMILES COc1cccc(c1)C(=O)OCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C31H31NO4/c1-34-28-8-4-7-27(18-28)31(33)36-20-22-9-13-25(14-10-22)29-15-16-32-19-30(29)35-21-23-11-12-24-5-2-3-6-26(24)17-23/h2-14,17-18,29-30,32H,15-16,19-21H2,1H3/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067065 (CHEMBL130854 | Sodium; (1S,5R)-2-[2-amino-2-(4-hyd...) Show SMILES NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C13H15N3O6S/c14-10(7-1-3-8(17)4-2-7)12(18)15-6-5-9-11(15)13(19)16(9)23(20,21)22/h1-4,9-11,17H,5-6,14H2,(H,20,21,22)/p-1/t9-,10?,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077691 ((3R,4R)-4-[4-(2-Benzyloxy-ethoxymethyl)-phenyl]-3-...) Show SMILES C(COCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)OCc1ccccc1 Show InChI InChI=1S/C32H35NO3/c1-2-6-25(7-3-1)22-34-18-19-35-23-26-10-14-29(15-11-26)31-16-17-33-21-32(31)36-24-27-12-13-28-8-4-5-9-30(28)20-27/h1-15,20,31-33H,16-19,21-24H2/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077667 ((3R,4R)-4-[4-(4-Benzyloxy-butoxy)-phenyl]-3-(napht...) Show SMILES C(CCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)COCc1ccccc1 Show InChI InChI=1S/C33H37NO3/c1-2-8-26(9-3-1)24-35-20-6-7-21-36-31-16-14-29(15-17-31)32-18-19-34-23-33(32)37-25-27-12-13-28-10-4-5-11-30(28)22-27/h1-5,8-17,22,32-34H,6-7,18-21,23-25H2/t32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077693 ((3'R,4'R)-3'-(1,4-Dimethoxy-naphthalen-2-ylmethoxy...) Show SMILES COc1ccccc1COCCCOc1ccc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C34H40N2O6/c1-37-30-12-7-4-9-25(30)22-40-17-8-18-41-33-14-13-24(20-36-33)27-15-16-35-21-32(27)42-23-26-19-31(38-2)28-10-5-6-11-29(28)34(26)39-3/h4-7,9-14,19-20,27,32,35H,8,15-18,21-23H2,1-3H3/t27-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077697 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(=O)[nH]c2c1 Show InChI InChI=1S/C32H36N2O5/c1-36-30-6-3-2-5-26(30)22-37-17-4-18-38-27-12-9-24(10-13-27)28-15-16-33-20-31(28)39-21-23-7-8-25-11-14-32(35)34-29(25)19-23/h2-3,5-14,19,28,31,33H,4,15-18,20-22H2,1H3,(H,34,35)/t28-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067057 (CHEMBL340937 | Sodium; (1S,5R)-2-((E)-3-1H-imidazo...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 |w:15.17| Show InChI InChI=1S/C11H12N4O5S/c16-9(2-1-7-5-12-6-13-7)14-4-3-8-10(14)11(17)15(8)21(18,19)20/h1-2,5-6,8,10H,3-4H2,(H,12,13)(H,18,19,20)/p-1/t8-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077696 (4-[2-(7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(OCCN3CCOCC3)cc2c1 Show InChI InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-10-33(11-13-35)37-15-16-39-27-38(37)45-29-31-7-8-32-9-14-36(26-34(32)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2/t37-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067062 (CHEMBL415234 | Sodium; (1S,6R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C11H18N2O6S/c1-11(2,3)19-10(15)12-6-4-5-7-8(12)9(14)13(7)20(16,17)18/h7-8H,4-6H2,1-3H3,(H,16,17,18)/p-1/t7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067056 (CHEMBL338351 | Sodium; (1S,5R)-2-(4-hydroxy-phenyl...) Show SMILES Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C12H13N3O6S/c16-8-3-1-7(2-4-8)13-12(18)14-6-5-9-10(14)11(17)15(9)22(19,20)21/h1-4,9-10,16H,5-6H2,(H,13,18)(H,19,20,21)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077709 (4-{2-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](COCCN2CCOCC2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C39H48N2O5/c1-2-7-31(8-3-1)28-43-20-6-21-45-37-15-13-34(14-16-37)39-36(30-44-24-19-41-17-22-42-23-18-41)26-40-27-38(39)46-29-32-11-12-33-9-4-5-10-35(33)25-32/h1-5,7-16,25,36,38-40H,6,17-24,26-30H2/t36-,38-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair

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