Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50039982 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)) | BDBM50387264
(CHEMBL2048704)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H43ClN4O3/c1-18(2)20(26(35)30-19-10-6-5-7-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,3)4)23-13-9-8-12-21(23)28/h8-9,12-13,18-20,22,24,33H,5-7,10-11,14-17,29H2,1-4H3,(H,30,35)/t20-,22-,24-/m0/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387263
(CHEMBL2048703)Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r| Show InChI InChI=1S/C26H43ClN4O3/c1-7-18(4)13-29-25(34)19(17(2)3)12-23(32)21(28)14-30-15-24(33)31(16-26(30,5)6)22-11-9-8-10-20(22)27/h8-11,17-19,21,23,32H,7,12-16,28H2,1-6H3,(H,29,34)/t18-,19-,21-,23-/m0/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387262
(CHEMBL2048702)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r| Show InChI InChI=1S/C25H41ClN4O3/c1-6-7-12-28-24(33)18(17(2)3)13-22(31)20(27)14-29-15-23(32)30(16-25(29,4)5)21-11-9-8-10-19(21)26/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,33)/t18-,20-,22-/m0/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387274
(CHEMBL2048564)Show SMILES COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C30H51N5O6/c1-20(2)21(27(38)33-18-29(3,4)28(32)39)15-24(36)22(31)16-34-17-26(37)35(19-30(34,5)6)23-11-8-9-12-25(23)41-14-10-13-40-7/h8-9,11-12,20-22,24,36H,10,13-19,31H2,1-7H3,(H2,32,39)(H,33,38)/t21-,22-,24-/m0/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387268
(CHEMBL2048571)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50387257
(CHEMBL2048706)Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(C)C |r| Show InChI InChI=1S/C26H42ClFN4O3/c1-7-17(4)12-30-25(35)19(16(2)3)11-23(33)21(29)13-31-14-24(34)32(15-26(31,5)6)22-10-18(28)8-9-20(22)27/h8-10,16-17,19,21,23,33H,7,11-15,29H2,1-6H3,(H,30,35)/t17-,19-,21-,23-/m0/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387280
(CHEMBL2046465)Show SMILES COCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C28H47N5O6/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36)/t19-,20-,22-/m0/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387279
(CHEMBL2048566)Show SMILES COCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C29H49N5O6/c1-19(2)20(26(37)32-17-28(3,4)27(31)38)14-23(35)21(30)15-33-16-25(36)34(18-29(33,5)6)22-10-8-9-11-24(22)40-13-12-39-7/h8-11,19-21,23,35H,12-18,30H2,1-7H3,(H2,31,38)(H,32,37)/t20-,21-,23-/m0/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387284
(CHEMBL2048570)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1C)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C27H45N5O4/c1-17(2)19(24(35)30-15-26(4,5)25(29)36)12-22(33)20(28)13-31-14-23(34)32(16-27(31,6)7)21-11-9-8-10-18(21)3/h8-11,17,19-20,22,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t19-,20-,22-/m0/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50387266
(CHEMBL2048707)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H42ClFN4O3/c1-17(2)20(26(36)31-19-8-6-5-7-9-19)13-24(34)22(30)14-32-15-25(35)33(16-27(32,3)4)23-12-18(29)10-11-21(23)28/h10-12,17,19-20,22,24,34H,5-9,13-16,30H2,1-4H3,(H,31,36)/t20-,22-,24-/m0/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387281
(CHEMBL2048567)Show SMILES COc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H45N5O5/c1-17(2)18(24(35)30-15-26(3,4)25(29)36)12-21(33)19(28)13-31-14-23(34)32(16-27(31,5)6)20-10-8-9-11-22(20)37-7/h8-11,17-19,21,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t18-,19-,21-/m0/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387272
(CHEMBL2048576)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387265
(CHEMBL2048705)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(C)C |r| Show InChI InChI=1S/C25H40ClFN4O3/c1-6-7-10-29-24(34)18(16(2)3)12-22(32)20(28)13-30-14-23(33)31(15-25(30,4)5)21-11-17(27)8-9-19(21)26/h8-9,11,16,18,20,22,32H,6-7,10,12-15,28H2,1-5H3,(H,29,34)/t18-,20-,22-/m0/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387267
(CHEMBL2048575)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)18(29)11-32-12-21(35)33(14-26(32,5)6)19-9-7-8-17(27)22(19)28/h7-9,15-16,18,20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,18-,20-/m0/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387263
(CHEMBL2048703)Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r| Show InChI InChI=1S/C26H43ClN4O3/c1-7-18(4)13-29-25(34)19(17(2)3)12-23(32)21(28)14-30-15-24(33)31(16-26(30,5)6)22-11-9-8-10-20(22)27/h8-11,17-19,21,23,32H,7,12-16,28H2,1-6H3,(H,29,34)/t18-,19-,21-,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387259
(CHEMBL2048579)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41ClFN5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(28)7-8-18(20)27/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387260
(CHEMBL2048580)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(Cl)ccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41Cl2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387271
(CHEMBL2048574)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(Cl)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)19(23(35)30-14-25(3,4)24(29)36)11-21(33)20(28)12-31-13-22(34)32(15-26(31,5)6)18-9-7-8-17(27)10-18/h7-10,16,19-21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t19-,20-,21-/m0/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387283
(CHEMBL2048569)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42FN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387261
(CHEMBL2048701)Show SMILES COc1ccc(Cl)c(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H44ClN5O5/c1-16(2)18(24(36)31-14-26(3,4)25(30)37)11-22(34)20(29)12-32-13-23(35)33(15-27(32,5)6)21-10-17(38-7)8-9-19(21)28/h8-10,16,18,20,22,34H,11-15,29H2,1-7H3,(H2,30,37)(H,31,36)/t18-,20-,22-/m0/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387273
(CHEMBL2048577)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1c(F)cccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)19(29)11-32-12-21(35)33(14-26(32,5)6)22-17(27)8-7-9-18(22)28/h7-9,15-16,19-20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,19-,20-/m0/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387270
(CHEMBL2048573)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42FN5O4/c1-16(2)19(23(35)30-14-25(3,4)24(29)36)11-21(33)20(28)12-31-13-22(34)32(15-26(31,5)6)18-9-7-8-17(27)10-18/h7-10,16,19-21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t19-,20-,21-/m0/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387282
(CHEMBL2048568)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H43N5O4/c1-17(2)19(23(34)29-15-25(3,4)24(28)35)12-21(32)20(27)13-30-14-22(33)31(16-26(30,5)6)18-10-8-7-9-11-18/h7-11,17,19-21,32H,12-16,27H2,1-6H3,(H2,28,35)(H,29,34)/t19-,20-,21-/m0/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387274
(CHEMBL2048564)Show SMILES COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C30H51N5O6/c1-20(2)21(27(38)33-18-29(3,4)28(32)39)15-24(36)22(31)16-34-17-26(37)35(19-30(34,5)6)23-11-8-9-12-25(23)41-14-10-13-40-7/h8-9,11-12,20-22,24,36H,10,13-19,31H2,1-7H3,(H2,32,39)(H,33,38)/t21-,22-,24-/m0/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387269
(CHEMBL2048572)Show SMILES COc1cccc(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H45N5O5/c1-17(2)20(24(35)30-15-26(3,4)25(29)36)12-22(33)21(28)13-31-14-23(34)32(16-27(31,5)6)18-9-8-10-19(11-18)37-7/h8-11,17,20-22,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t20-,21-,22-/m0/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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387266
(CHEMBL2048707)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H42ClFN4O3/c1-17(2)20(26(36)31-19-8-6-5-7-9-19)13-24(34)22(30)14-32-15-25(35)33(16-27(32,3)4)23-12-18(29)10-11-21(23)28/h10-12,17,19-20,22,24,34H,5-9,13-16,30H2,1-4H3,(H,31,36)/t20-,22-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387274
(CHEMBL2048564)Show SMILES COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C30H51N5O6/c1-20(2)21(27(38)33-18-29(3,4)28(32)39)15-24(36)22(31)16-34-17-26(37)35(19-30(34,5)6)23-11-8-9-12-25(23)41-14-10-13-40-7/h8-9,11-12,20-22,24,36H,10,13-19,31H2,1-7H3,(H2,32,39)(H,33,38)/t21-,22-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50387258
(CHEMBL2048578)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)cc(F)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)19(23(36)31-13-25(3,4)24(30)37)10-21(34)20(29)11-32-12-22(35)33(14-26(32,5)6)18-8-16(27)7-17(28)9-18/h7-9,15,19-21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t19-,20-,21-/m0/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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human purified renin |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387280
(CHEMBL2046465)Show SMILES COCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C28H47N5O6/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36)/t19-,20-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387259
(CHEMBL2048579)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41ClFN5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(28)7-8-18(20)27/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387268
(CHEMBL2048571)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Macaca fascicularis) | BDBM50387257
(CHEMBL2048706)Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(C)C |r| Show InChI InChI=1S/C26H42ClFN4O3/c1-7-17(4)12-30-25(35)19(16(2)3)11-23(33)21(29)13-31-14-24(34)32(15-26(31,5)6)22-10-18(28)8-9-20(22)27/h8-10,16-17,19,21,23,33H,7,11-15,29H2,1-6H3,(H,30,35)/t17-,19-,21-,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387262
(CHEMBL2048702)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r| Show InChI InChI=1S/C25H41ClN4O3/c1-6-7-12-28-24(33)18(17(2)3)13-22(31)20(27)14-29-15-23(32)30(16-25(29,4)5)21-11-9-8-10-19(21)26/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,33)/t18-,20-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387279
(CHEMBL2048566)Show SMILES COCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C29H49N5O6/c1-19(2)20(26(37)32-17-28(3,4)27(31)38)14-23(35)21(30)15-33-16-25(36)34(18-29(33,5)6)22-10-8-9-11-24(22)40-13-12-39-7/h8-11,19-21,23,35H,12-18,30H2,1-7H3,(H2,31,38)(H,32,37)/t20-,21-,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387274
(CHEMBL2048564)Show SMILES COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C30H51N5O6/c1-20(2)21(27(38)33-18-29(3,4)28(32)39)15-24(36)22(31)16-34-17-26(37)35(19-30(34,5)6)23-11-8-9-12-25(23)41-14-10-13-40-7/h8-9,11-12,20-22,24,36H,10,13-19,31H2,1-7H3,(H2,32,39)(H,33,38)/t21-,22-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387267
(CHEMBL2048575)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)18(29)11-32-12-21(35)33(14-26(32,5)6)19-9-7-8-17(27)22(19)28/h7-9,15-16,18,20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,18-,20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387264
(CHEMBL2048704)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H43ClN4O3/c1-18(2)20(26(35)30-19-10-6-5-7-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,3)4)23-13-9-8-12-21(23)28/h8-9,12-13,18-20,22,24,33H,5-7,10-11,14-17,29H2,1-4H3,(H,30,35)/t20-,22-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387273
(CHEMBL2048577)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1c(F)cccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)19(29)11-32-12-21(35)33(14-26(32,5)6)22-17(27)8-7-9-18(22)28/h7-9,15-16,19-20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,19-,20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387281
(CHEMBL2048567)Show SMILES COc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H45N5O5/c1-17(2)18(24(35)30-15-26(3,4)25(29)36)12-21(33)19(28)13-31-14-23(34)32(16-27(31,5)6)20-10-8-9-11-22(20)37-7/h8-11,17-19,21,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t18-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387270
(CHEMBL2048573)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42FN5O4/c1-16(2)19(23(35)30-14-25(3,4)24(29)36)11-21(33)20(28)12-31-13-22(34)32(15-26(31,5)6)18-9-7-8-17(27)10-18/h7-10,16,19-21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t19-,20-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387284
(CHEMBL2048570)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1C)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C27H45N5O4/c1-17(2)19(24(35)30-15-26(4,5)25(29)36)12-22(33)20(28)13-31-14-23(34)32(16-27(31,6)7)21-11-9-8-10-18(21)3/h8-11,17,19-20,22,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t19-,20-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD 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 |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387271
(CHEMBL2048574)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(Cl)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)19(23(35)30-14-25(3,4)24(29)36)11-21(33)20(28)12-31-13-22(34)32(15-26(31,5)6)18-9-7-8-17(27)10-18/h7-10,16,19-21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t19-,20-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387265
(CHEMBL2048705)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(C)C |r| Show InChI InChI=1S/C25H40ClFN4O3/c1-6-7-10-29-24(34)18(16(2)3)12-22(32)20(28)13-30-14-23(33)31(15-25(30,4)5)21-11-17(27)8-9-19(21)26/h8-9,11,16,18,20,22,32H,6-7,10,12-15,28H2,1-5H3,(H,29,34)/t18-,20-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387260
(CHEMBL2048580)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(Cl)ccc1Cl)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41Cl2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387283
(CHEMBL2048569)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H42FN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387272
(CHEMBL2048576)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387261
(CHEMBL2048701)Show SMILES COc1ccc(Cl)c(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H44ClN5O5/c1-16(2)18(24(36)31-14-26(3,4)25(30)37)11-22(34)20(29)12-32-13-23(35)33(15-27(32,5)6)21-10-17(38-7)8-9-19(21)28/h8-10,16,18,20,22,34H,11-15,29H2,1-7H3,(H2,30,37)(H,31,36)/t18-,20-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387282
(CHEMBL2048568)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H43N5O4/c1-17(2)19(23(34)29-15-25(3,4)24(28)35)12-21(32)20(27)13-30-14-22(33)31(16-26(30,5)6)18-10-8-7-9-11-18/h7-11,17,19-21,32H,12-16,27H2,1-6H3,(H2,28,35)(H,29,34)/t19-,20-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387269
(CHEMBL2048572)Show SMILES COc1cccc(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H45N5O5/c1-17(2)20(24(35)30-15-26(3,4)25(29)36)12-22(33)21(28)13-31-14-23(34)32(16-27(31,5)6)18-9-8-10-19(11-18)37-7/h8-11,17,20-22,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t20-,21-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50387258
(CHEMBL2048578)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)cc(F)c1)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)19(23(36)31-13-25(3,4)24(30)37)10-21(34)20(29)11-32-12-22(35)33(14-26(32,5)6)18-8-16(27)7-17(28)9-18/h7-9,15,19-21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t19-,20-,21-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in cynomolgus monkey plasma |
Bioorg Med Chem Lett 22: 4561-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9 |
More data for this Ligand-Target Pair | |