Found 171 hits with Last Name = 'pals' and Initial = 'dt' 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)) | BDBM50022835
(Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL419531)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(N)=O Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38-,40-,41?,43-/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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368278
(CHEMBL1790497)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42-,43-/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014102
(Boc-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-THAM Ami...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NC(CO)(CO)CO Show InChI InChI=1S/C48H78N8O11/c1-11-31(6)40(44(64)54-48(25-57,26-58)27-59)53-41(61)34(30(4)5)23-39(60)35(20-29(2)3)51-43(63)38(22-33-24-49-28-50-33)55(10)45(65)36(21-32-16-13-12-14-17-32)52-42(62)37-18-15-19-56(37)46(66)67-47(7,8)9/h12-14,16-17,24,28-31,34-40,57-60H,11,15,18-23,25-27H2,1-10H3,(H,49,50)(H,51,63)(H,52,62)(H,53,61)(H,54,64)/t31-,34+,35-,36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014100
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011341
(2-Amino-5-[2-(1-{[1-[1-cyclohexylmethyl-2-hydroxy-...)Show SMILES CC(C)CCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CC[C@H](N)C(O)=O)C(C)C |r| Show InChI InChI=1S/C46H72N8O8/c1-29(2)20-21-49-42(57)34(30(3)4)26-40(55)36(23-31-13-8-6-9-14-31)51-44(59)39(25-33-27-48-28-50-33)53(5)45(60)37(24-32-15-10-7-11-16-32)52-43(58)38-17-12-22-54(38)41(56)19-18-35(47)46(61)62/h7,10-11,15-16,27-31,34-40,55H,6,8-9,12-14,17-26,47H2,1-5H3,(H,48,50)(H,49,57)(H,51,59)(H,52,58)(H,61,62) | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011339
(2-Amino-5-[2-(1-{[1-(1-cyclohexylmethyl-2-hydroxy-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CC[C@H](N)C(O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C53H78N10O9/c1-6-34(4)47(51(69)57-31-37-20-13-14-24-56-37)61-48(66)39(33(2)3)29-45(64)41(26-35-16-9-7-10-17-35)59-50(68)44(28-38-30-55-32-58-38)62(5)52(70)42(27-36-18-11-8-12-19-36)60-49(67)43-21-15-25-63(43)46(65)23-22-40(54)53(71)72/h8,11-14,18-20,24,30,32-35,39-45,47,64H,6-7,9-10,15-17,21-23,25-29,31,54H2,1-5H3,(H,55,58)(H,57,69)(H,59,68)(H,60,67)(H,61,66)(H,71,72) | 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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011347
(5-[2-{[2-(3-Amino-3-methyl-butyrylamino)-3-phenyl-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)N)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C48H73N9O6/c1-8-32(4)43(46(62)52-29-35-21-15-16-22-51-35)56-44(60)37(31(2)3)26-41(58)38(23-33-17-11-9-12-18-33)55-45(61)40(25-36-28-50-30-53-36)57(7)47(63)39(24-34-19-13-10-14-20-34)54-42(59)27-48(5,6)49/h10,13-16,19-22,28,30-33,37-41,43,58H,8-9,11-12,17-18,23-27,29,49H2,1-7H3,(H,50,53)(H,52,62)(H,54,59)(H,55,61)(H,56,60) | 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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50406474
(CHEMBL2028945)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C56H86N10O12S/c1-9-39(6)51(55(73)58-35-42-22-17-18-27-66(42)75)62-52(70)43(38(4)5)33-48(67)44(30-37(2)3)60-54(72)47(32-41-34-57-36-59-41)64(8)56(74)45(31-40-20-13-12-14-21-40)61-53(71)46-23-19-26-65(46)50(69)25-16-11-10-15-24-49(68)63(7)28-29-79(76,77)78/h12-14,17-18,20-22,27,34,36-39,43-48,51,67H,9-11,15-16,19,23-26,28-33,35H2,1-8H3,(H,57,59)(H,58,73)(H,60,72)(H,61,71)(H,62,70)(H,76,77,78)/p-1/t39-,43-,44-,45-,46-,47-,48?,51-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022861
(Ac-Ftr-Pro-Phe-His-Leu(psi)[CH(OH)CH2]Val-NH2 | CH...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)C[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C46H61N9O8/c1-27(2)18-35(41(58)22-34(28(3)4)42(47)59)51-44(61)37(21-32-23-48-25-49-32)52-43(60)36(19-30-12-7-6-8-13-30)53-45(62)40-16-11-17-55(40)46(63)38(50-29(5)57)20-31-24-54(26-56)39-15-10-9-14-33(31)39/h6-10,12-15,23-28,34-38,40-41,58H,11,16-22H2,1-5H3,(H2,47,59)(H,48,49)(H,50,57)(H,51,61)(H,52,60)(H,53,62)/t34-,35-,36-,37-,38-,40-,41?/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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011342
(2-Amino-5-[2-(1-{[1-(1-cyclohexylmethyl-2-hydroxy-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CC[C@H](N)C(O)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C53H78N10O10/c1-6-34(4)47(51(69)56-31-38-20-13-14-25-63(38)73)60-48(66)39(33(2)3)29-45(64)41(26-35-16-9-7-10-17-35)58-50(68)44(28-37-30-55-32-57-37)61(5)52(70)42(27-36-18-11-8-12-19-36)59-49(67)43-21-15-24-62(43)46(65)23-22-40(54)53(71)72/h8,11-14,18-20,25,30,32-35,39-45,47,64H,6-7,9-10,15-17,21-24,26-29,31,54H2,1-5H3,(H,55,57)(H,56,69)(H,58,68)(H,59,67)(H,60,66)(H,71,72) | 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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014105
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C50H74N8O9/c1-11-33(6)43(48(64)66-29-35-20-15-16-22-52-35)56-44(60)37(32(4)5)27-42(59)38(24-31(2)3)54-46(62)41(26-36-28-51-30-53-36)57(10)47(63)39(25-34-18-13-12-14-19-34)55-45(61)40-21-17-23-58(40)49(65)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,59H,11,17,21,23-27,29H2,1-10H3,(H,51,53)(H,54,62)(H,55,61)(H,56,60)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014106
(CHEMBL429882 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H76N10O10/c1-8-33(6)43(47(68)53-26-35-17-12-13-19-52-35)57-44(65)37(32(4)5)24-42(64)38(21-31(2)3)55-46(67)41(23-36-25-51-30-54-36)59(7)48(69)39(22-34-15-10-9-11-16-34)56-45(66)40-18-14-20-60(40)49(70)58-50(27-61,28-62)29-63/h9-13,15-17,19,25,30-33,37-43,61-64H,8,14,18,20-24,26-29H2,1-7H3,(H,51,54)(H,53,68)(H,55,67)(H,56,66)(H,57,65)(H,58,70)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368112
(CHEMBL1790062)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(O)=O)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C39H57N5O8/c1-6-26(4)36(39(51)44(5)33-19-13-14-20-40-33)43-37(49)29(25(2)3)22-32(45)30(21-27-15-9-7-10-16-27)42-38(50)31(23-35(47)48)41-34(46)24-52-28-17-11-8-12-18-28/h8,11-14,17-20,25-27,29-32,36,45H,6-7,9-10,15-16,21-24H2,1-5H3,(H,41,46)(H,42,50)(H,43,49)(H,47,48)/t26-,29+,30+,31-,32?,36+/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 | 0.340 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022846
(Ac-Ftr-Pro-Phe-His-Sta-Val-Ftr-NH2 | CHEMBL275711)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O Show InChI InChI=1S/C59H72N12O11/c1-34(2)22-43(51(75)27-52(76)68-53(35(3)4)58(81)65-44(54(60)77)24-38-29-69(32-72)48-18-11-9-16-41(38)48)64-56(79)46(26-40-28-61-31-62-40)66-55(78)45(23-37-14-7-6-8-15-37)67-57(80)50-20-13-21-71(50)59(82)47(63-36(5)74)25-39-30-70(33-73)49-19-12-10-17-42(39)49/h6-12,14-19,28-35,43-47,50-51,53,75H,13,20-27H2,1-5H3,(H2,60,77)(H,61,62)(H,63,74)(H,64,79)(H,65,81)(H,66,78)(H,67,80)(H,68,76)/t43?,44-,45-,46-,47-,50-,51?,53-/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 | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011337
(5-[2-{[2-(3-Amino-3-methyl-butyrylamino)-3-phenyl-...)Show SMILES CC(C)CCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)N)C(C)C |r| Show InChI InChI=1S/C41H67N7O5/c1-27(2)18-19-44-38(51)32(28(3)4)23-36(49)33(20-29-14-10-8-11-15-29)47-39(52)35(22-31-25-43-26-45-31)48(7)40(53)34(21-30-16-12-9-13-17-30)46-37(50)24-41(5,6)42/h9,12-13,16-17,25-29,32-36,49H,8,10-11,14-15,18-24,42H2,1-7H3,(H,43,45)(H,44,51)(H,46,50)(H,47,52) | 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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011348
(5-[2-{[2-(3-Amino-3-methyl-butyrylamino)-3-phenyl-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)N)C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C48H73N9O7/c1-8-32(4)43(46(62)51-29-36-21-15-16-22-57(36)64)55-44(60)37(31(2)3)26-41(58)38(23-33-17-11-9-12-18-33)54-45(61)40(25-35-28-50-30-52-35)56(7)47(63)39(24-34-19-13-10-14-20-34)53-42(59)27-48(5,6)49/h10,13-16,19-22,28,30-33,37-41,43,58H,8-9,11-12,17-18,23-27,29,49H2,1-7H3,(H,50,52)(H,51,62)(H,53,59)(H,54,61)(H,55,60) | 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 | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011345
(CHEMBL3143483 | Phosphoric acid mono-{4-[2-(1-{[1-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCOP(O)(O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C49H74N9O11P/c1-8-33(6)44(48(64)52-29-35-18-12-13-21-51-35)56-45(61)37(32(4)5)27-42(59)38(24-31(2)3)54-47(63)41(26-36-28-50-30-53-36)57(7)49(65)39(25-34-16-10-9-11-17-34)55-46(62)40-19-14-22-58(40)43(60)20-15-23-69-70(66,67)68/h9-13,16-18,21,28,30-33,37-42,44,59H,8,14-15,19-20,22-27,29H2,1-7H3,(H,50,53)(H,52,64)(H,54,63)(H,55,62)(H,56,61)(H2,66,67,68) | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014099
(CHEMBL414795 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C52H78N10O12/c1-8-31(6)42(49(70)55-26-33-17-12-13-19-54-33)59-46(67)35(30(4)5)24-40(64)36(21-29(2)3)57-48(69)39(23-34-25-53-28-56-34)61(7)50(71)37(22-32-15-10-9-11-16-32)58-47(68)38-18-14-20-62(38)52(73)60-43-45(66)44(65)41(27-63)74-51(43)72/h9-13,15-17,19,25,28-31,35-45,51,63-66,72H,8,14,18,20-24,26-27H2,1-7H3,(H,53,56)(H,55,70)(H,57,69)(H,58,68)(H,59,67)(H,60,73)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025927
(CHEMBL3143966 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25?,29-,30?,31?,32?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Plasma renin inhibitory activity was evaluated in lyophilized human plasma with 0.1%EDTA |
J Med Chem 28: 1553-5 (1985)
BindingDB Entry DOI: 10.7270/Q23B60QP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024146
(CHEMBL3142169 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:24,26| Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)46-23-27-16-12-13-17-43-27)50-37(55)40(41,42)33(51)28(20-24(2)3)47-35(53)30(22-31-44-18-19-45-31)48-34(52)29(21-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-19,24-25,28-32H,8,20-23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55) | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022845
(Ac-Ftr-Pro-Phe-His-Sta-Val-NH2 | CHEMBL318388)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C47H62N10O9/c1-27(2)18-34(40(60)22-41(61)55-42(28(3)4)43(48)62)52-45(64)36(21-32-23-49-25-50-32)53-44(63)35(19-30-12-7-6-8-13-30)54-46(65)39-16-11-17-57(39)47(66)37(51-29(5)59)20-31-24-56(26-58)38-15-10-9-14-33(31)38/h6-10,12-15,23-28,34-37,39-40,42,60H,11,16-22H2,1-5H3,(H2,48,62)(H,49,50)(H,51,59)(H,52,64)(H,53,63)(H,54,65)(H,55,61)/t34?,35-,36-,37-,39-,40?,42-/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 | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024149
(CHEMBL3142178 | {1-[1-(1-Cyclohexylmethyl-3,3-difl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:28,30| Show InChI InChI=1S/C43H60F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h8,11-14,17-22,27-28,31-36,54H,6-7,9-10,15-16,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58)/t27?,31-,32?,33?,35?,36+/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 | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014104
(CHEMBL410067 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C50H75N9O11/c1-8-33(6)43(48(68)70-26-35-17-12-13-19-52-35)56-44(64)37(32(4)5)24-42(63)38(21-31(2)3)54-46(66)41(23-36-25-51-30-53-36)58(7)47(67)39(22-34-15-10-9-11-16-34)55-45(65)40-18-14-20-59(40)49(69)57-50(27-60,28-61)29-62/h9-13,15-17,19,25,30-33,37-43,60-63H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,66)(H,55,65)(H,56,64)(H,57,69)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024156
(2-(1-{[1-(2-Hydroxy-1-isobutyl-5-methyl-4-{2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61) | 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 | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2088-93 (1986)
BindingDB Entry DOI: 10.7270/Q2251JRT |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024151
((1-{[1-(2-Hydroxy-1-isobutyl-5-methyl-4-{2-methyl-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C45H68N8O7/c1-11-30(6)39(42(57)48-26-32-19-15-16-20-47-32)52-40(55)34(29(4)5)24-38(54)35(21-28(2)3)50-41(56)37(23-33-25-46-27-49-33)53(10)43(58)36(22-31-17-13-12-14-18-31)51-44(59)60-45(7,8)9/h12-20,25,27-30,34-39,54H,11,21-24,26H2,1-10H3,(H,46,49)(H,48,57)(H,50,56)(H,51,59)(H,52,55) | 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 | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2088-93 (1986)
BindingDB Entry DOI: 10.7270/Q2251JRT |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011343
(CHEMBL3143477 | Sodium; 2-{[7-(1-{[1-(2-hydroxy-1-...)Show SMILES [Na+].CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C51H79N9O10S/c1-9-36(6)47(50(66)54-32-38-21-17-18-24-53-38)58-48(64)40(35(4)5)30-44(61)41(27-34(2)3)57-49(65)43(29-39-31-52-33-55-39)60(8)51(67)42(28-37-19-13-12-14-20-37)56-45(62)22-15-10-11-16-23-46(63)59(7)25-26-71(68,69)70/h12-14,17-21,24,31,33-36,40-44,47,61H,9-11,15-16,22-23,25-30,32H2,1-8H3,(H,52,55)(H,54,66)(H,56,62)(H,57,65)(H,58,64)(H,68,69,70)/p-1 | 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 | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368109
(CHEMBL1790066)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(O)C(O)=O)C(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C36H52N4O9/c1-8-23(6)31(35(46)40(7)29-16-12-13-17-37-29)39-33(44)25(22(4)5)19-27(41)26(18-21(2)3)38-34(45)30(32(43)36(47)48)28(42)20-49-24-14-10-9-11-15-24/h9-17,21-23,25-27,30-32,41,43H,8,18-20H2,1-7H3,(H,38,45)(H,39,44)(H,47,48)/t23-,25+,26+,27?,30?,31+,32?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022836
(CGP-2928 | CHEMBL216847 | Z-Arg-Arg-Pro-Phe-His-St...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC Show InChI InChI=1S/C71H108N20O15/c1-9-43(4)56(63(98)88-54(36-47-38-77-41-82-47)60(95)84-50(66(101)104-8)25-16-17-29-80-69(102)106-71(5,6)7)90-64(99)57(92)51(33-42(2)3)85-61(96)53(35-46-37-76-40-81-46)86-59(94)52(34-44-21-12-10-13-22-44)87-62(97)55-28-20-32-91(55)65(100)49(27-19-31-79-68(74)75)83-58(93)48(26-18-30-78-67(72)73)89-70(103)105-39-45-23-14-11-15-24-45/h10-15,21-24,37-38,40-43,48-57,92H,9,16-20,25-36,39H2,1-8H3,(H,76,81)(H,77,82)(H,80,102)(H,83,93)(H,84,95)(H,85,96)(H,86,94)(H,87,97)(H,88,98)(H,89,103)(H,90,99)(H4,72,73,78)(H4,74,75,79)/t43-,48-,49-,50-,51?,52-,53-,54-,55-,56-,57?/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014101
(CHEMBL265833 | N-[4,5-Dihydro-4,4-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1=NC(CO)(CO)CO1)C(C)C)C(=O)OCc1ccccn1 |t:50| Show InChI InChI=1S/C50H73N9O10/c1-8-33(6)43(48(67)68-26-35-17-12-13-19-52-35)56-44(63)37(32(4)5)24-42(62)38(21-31(2)3)54-46(65)41(23-36-25-51-30-53-36)58(7)47(66)39(22-34-15-10-9-11-16-34)55-45(64)40-18-14-20-59(40)49-57-50(27-60,28-61)29-69-49/h9-13,15-17,19,25,30-33,37-43,60-62H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,65)(H,55,64)(H,56,63)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014103
(CHEMBL263257 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C52H77N9O13/c1-8-31(6)42(50(70)73-27-33-17-12-13-19-54-33)58-46(66)35(30(4)5)24-40(63)36(21-29(2)3)56-48(68)39(23-34-25-53-28-55-34)60(7)49(69)37(22-32-15-10-9-11-16-32)57-47(67)38-18-14-20-61(38)52(72)59-43-45(65)44(64)41(26-62)74-51(43)71/h9-13,15-17,19,25,28-31,35-45,51,62-65,71H,8,14,18,20-24,26-27H2,1-7H3,(H,53,55)(H,56,68)(H,57,67)(H,58,66)(H,59,72)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011346
(CHEMBL3143482 | Sodium; 2-{[7-(1-{[1-(2-hydroxy-1-...)Show SMILES [Na+].CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C51H79N9O11S/c1-9-36(6)47(50(66)53-32-39-21-17-18-24-60(39)68)57-48(64)40(35(4)5)30-44(61)41(27-34(2)3)56-49(65)43(29-38-31-52-33-54-38)59(8)51(67)42(28-37-19-13-12-14-20-37)55-45(62)22-15-10-11-16-23-46(63)58(7)25-26-72(69,70)71/h12-14,17-21,24,31,33-36,40-44,47,61H,9-11,15-16,22-23,25-30,32H2,1-8H3,(H,52,54)(H,53,66)(H,55,62)(H,56,65)(H,57,64)(H,69,70,71)/p-1 | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368104
(CHEMBL1790067)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(O)C(O)=O)C(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C36H52N4O8/c1-8-23(6)31(35(46)40(7)29-16-12-13-17-37-29)39-33(44)25(22(4)5)20-27(41)26(18-21(2)3)38-34(45)30(32(43)36(47)48)28(42)19-24-14-10-9-11-15-24/h9-17,21-23,25-27,30-32,41,43H,8,18-20H2,1-7H3,(H,38,45)(H,39,44)(H,47,48)/t23-,25+,26+,27?,30?,31+,32?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024144
(CHEMBL3142193 | {1-[1-(1-Benzyl-3,3-difluoro-3-{2-...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r,c:28,30| Show InChI InChI=1S/C43H52F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h7-22,27,31-35H,6,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024145
(CHEMBL3350345 | {1-[1-(1-Cyclohexylmethyl-3,3-difl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:24,26| Show InChI InChI=1S/C43H58F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h8,11-14,17-22,27-28,31-35H,6-7,9-10,15-16,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022844
(Ac-Trp-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL317280)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O Show InChI InChI=1S/C47H64N10O8/c1-6-28(4)42(43(48)61)56-41(60)23-40(59)35(19-27(2)3)53-45(63)37(22-32-25-49-26-51-32)54-44(62)36(20-30-13-8-7-9-14-30)55-46(64)39-17-12-18-57(39)47(65)38(52-29(5)58)21-31-24-50-34-16-11-10-15-33(31)34/h7-11,13-16,24-28,35-40,42,50,59H,6,12,17-23H2,1-5H3,(H2,48,61)(H,49,51)(H,52,58)(H,53,63)(H,54,62)(H,55,64)(H,56,60)/t28-,35-,36-,37-,38-,39-,40?,42-/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011350
(CHEMBL3143484 | Phosphoric acid mono-{2-[2-(1-{[1-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COP(O)(O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C47H70N9O11P/c1-8-31(6)42(46(62)50-26-33-17-12-13-19-49-33)54-43(59)35(30(4)5)24-40(57)36(21-29(2)3)52-45(61)39(23-34-25-48-28-51-34)55(7)47(63)37(22-32-15-10-9-11-16-32)53-44(60)38-18-14-20-56(38)41(58)27-67-68(64,65)66/h9-13,15-17,19,25,28-31,35-40,42,57H,8,14,18,20-24,26-27H2,1-7H3,(H,48,51)(H,50,62)(H,52,61)(H,53,60)(H,54,59)(H2,64,65,66) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024214
(Boc-alpha-MePro-Phe-His-Leu si[CHOHCH2]Val-Ile-Amp...)Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C50H76N10O8/c1-11-33(6)42(45(64)54-28-35-20-15-16-22-52-35)59-46(65)41(32(4)5)53-29-40(61)37(24-31(2)3)56-44(63)39(26-36-27-51-30-55-36)57-43(62)38(25-34-18-13-12-14-19-34)58-47(66)50(10)21-17-23-60(50)48(67)68-49(7,8)9/h12-16,18-20,22,27,30-33,37-42,53,61H,11,17,21,23-26,28-29H2,1-10H3,(H,51,55)(H,54,64)(H,56,63)(H,57,62)(H,58,66)(H,59,65)/t33?,37?,38?,39?,40?,41?,42?,50-/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against human plasma renin. |
J Med Chem 30: 536-41 (1987)
BindingDB Entry DOI: 10.7270/Q2V988PS |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025928
(CHEMBL57121 | {1-[1-[1-(1-Hydroxy-2-{2-methyl-1-[(...)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H58N8O7/c1-8-26(4)35(38(53)43-23-28-16-12-13-17-42-28)48-34(50)21-33(49)30(18-25(2)3)45-37(52)32(20-29-22-41-24-44-29)46-36(51)31(19-27-14-10-9-11-15-27)47-39(54)55-40(5,6)7/h9-17,22,24-26,30-33,35,49H,8,18-21,23H2,1-7H3,(H,41,44)(H,43,53)(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t26?,30-,31?,32?,33-,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Plasma renin inhibitory activity was evaluated in lyophilized human plasma with 0.1%EDTA |
J Med Chem 28: 1553-5 (1985)
BindingDB Entry DOI: 10.7270/Q23B60QP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50023078
(1N-[2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]-4-...)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H58N8O7/c1-8-26(4)35(38(53)43-23-28-16-12-13-17-42-28)48-34(50)21-33(49)30(18-25(2)3)45-37(52)32(20-29-22-41-24-44-29)46-36(51)31(19-27-14-10-9-11-15-27)47-39(54)55-40(5,6)7/h9-17,22,24-26,30-33,35,49H,8,18-21,23H2,1-7H3,(H,41,44)(H,43,53)(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t26-,30-,31-,32-,33-,35-/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human plasma renin. |
J Med Chem 30: 1837-42 (1987)
BindingDB Entry DOI: 10.7270/Q2GT5M5T |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024147
(CHEMBL3142170 | {1-[1-[1-(1-Hydroxy-2-{2-methyl-1-...)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:22,24| Show InChI InChI=1S/C40H58N8O7/c1-8-26(4)35(38(53)44-24-28-16-12-13-17-41-28)48-34(50)23-32(49)29(20-25(2)3)45-37(52)31(22-33-42-18-19-43-33)46-36(51)30(21-27-14-10-9-11-15-27)47-39(54)55-40(5,6)7/h9-19,25-26,29-33,35,49H,8,20-24H2,1-7H3,(H,44,53)(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t26?,29-,30?,31?,32-,35?/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50406476
(CHEMBL2028948)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C56H86N10O11S/c1-9-39(6)51(55(73)59-35-41-22-17-18-26-58-41)63-52(70)43(38(4)5)33-48(67)44(30-37(2)3)61-54(72)47(32-42-34-57-36-60-42)65(8)56(74)45(31-40-20-13-12-14-21-40)62-53(71)46-23-19-27-66(46)50(69)25-16-11-10-15-24-49(68)64(7)28-29-78(75,76)77/h12-14,17-18,20-22,26,34,36-39,43-48,51,67H,9-11,15-16,19,23-25,27-33,35H2,1-8H3,(H,57,60)(H,59,73)(H,61,72)(H,62,71)(H,63,70)(H,75,76,77)/p-1/t39-,43-,44-,45-,46-,47-,48?,51-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368105
(CHEMBL1790064)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=O)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C36H53N5O8/c1-8-24(6)33(36(48)41(7)30-16-12-13-17-37-30)40-34(46)26(23(4)5)19-29(42)27(18-22(2)3)39-35(47)28(20-32(44)45)38-31(43)21-49-25-14-10-9-11-15-25/h9-17,22-24,26-29,33,42H,8,18-21H2,1-7H3,(H,38,43)(H,39,47)(H,40,46)(H,44,45)/t24-,26+,27+,28-,29?,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 | 1.90 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50406473
(CHEMBL2028947)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCO[P+](O)(O)[O-])C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C49H74N9O12P/c1-8-33(6)44(48(64)51-29-36-18-12-13-22-58(36)66)55-45(61)37(32(4)5)27-42(59)38(24-31(2)3)53-47(63)41(26-35-28-50-30-52-35)56(7)49(65)39(25-34-16-10-9-11-17-34)54-46(62)40-19-14-21-57(40)43(60)20-15-23-70-71(67,68)69/h9-13,16-18,22,28,30-33,37-42,44,59H,8,14-15,19-21,23-27,29H2,1-7H3,(H,50,52)(H,51,64)(H,53,63)(H,54,62)(H,55,61)(H2,67,68,69)/t33-,37-,38-,39-,40-,41-,42?,44-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50367481
(CHEMBL1237141 | CHEMBL3143428)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C50H76N10O8/c1-11-33(6)42(45(64)54-28-35-20-15-16-22-52-35)59-46(65)41(32(4)5)53-29-40(61)37(24-31(2)3)56-44(63)39(26-36-27-51-30-55-36)57-43(62)38(25-34-18-13-12-14-19-34)58-47(66)50(10)21-17-23-60(50)48(67)68-49(7,8)9/h12-16,18-20,22,27,30-33,37-42,53,61H,11,17,21,23-26,28-29H2,1-10H3,(H,51,55)(H,54,64)(H,56,63)(H,57,62)(H,58,66)(H,59,65)/t33?,37?,38?,39?,40?,41?,42?,50-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against hog renin. |
J Med Chem 30: 536-41 (1987)
BindingDB Entry DOI: 10.7270/Q2V988PS |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368107
(CHEMBL1790070)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(O)=O)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C39H57N5O7/c1-6-26(4)36(39(51)44(5)33-19-13-14-20-40-33)43-37(49)29(25(2)3)23-32(45)30(21-27-15-9-7-10-16-27)42-38(50)31(24-35(47)48)41-34(46)22-28-17-11-8-12-18-28/h8,11-14,17-20,25-27,29-32,36,45H,6-7,9-10,15-16,21-24H2,1-5H3,(H,41,46)(H,42,50)(H,43,49)(H,47,48)/t26-,29+,30+,31-,32?,36+/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 | 2 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50406365
(CHEMBL2021411)Show SMILES CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(O)C([O-])=O)C(=O)COc1ccccc1)C(C)C Show InChI InChI=1S/C29H46N2O8/c1-7-19(6)15-30-27(35)21(18(4)5)14-23(32)22(13-17(2)3)31-28(36)25(26(34)29(37)38)24(33)16-39-20-11-9-8-10-12-20/h8-12,17-19,21-23,25-26,32,34H,7,13-16H2,1-6H3,(H,30,35)(H,31,36)(H,37,38)/p-1/t19-,21+,22+,23?,25?,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024143
(CHEMBL3142184 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r,c:28,30| Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)46-23-27-16-12-13-17-43-27)50-37(55)40(41,42)33(51)28(20-24(2)3)47-35(53)30(22-31-44-18-19-45-31)48-34(52)29(21-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-19,24-25,28-32H,8,20-23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25?,28-,29?,30?,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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
J Med Chem 29: 2080-7 (1986)
BindingDB Entry DOI: 10.7270/Q25X29G7 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50406475
(CHEMBL2028946)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CO[P+](O)(O)[O-])C(C)C)C(=O)NCc1cccc[n+]1[O-] |r| Show InChI InChI=1S/C47H70N9O12P/c1-8-31(6)42(46(62)49-26-34-17-12-13-20-56(34)64)53-43(59)35(30(4)5)24-40(57)36(21-29(2)3)51-45(61)39(23-33-25-48-28-50-33)54(7)47(63)37(22-32-15-10-9-11-16-32)52-44(60)38-18-14-19-55(38)41(58)27-68-69(65,66)67/h9-13,15-17,20,25,28-31,35-40,42,57H,8,14,18-19,21-24,26-27H2,1-7H3,(H,48,50)(H,49,62)(H,51,61)(H,52,60)(H,53,59)(H2,65,66,67)/t31-,35-,36-,37-,38-,39-,40?,42-/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin. |
J Med Chem 34: 633-42 (1991)
BindingDB Entry DOI: 10.7270/Q2H70DSZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50024212
(2-{1-[1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-yl...)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H67N9O8/c1-9-30(4)39(42(60)49-27-32-18-13-14-20-48-32)54-38(57)25-37(56)34(22-29(2)3)51-41(59)36(24-33-26-47-28-50-33)52-40(58)35(23-31-16-11-10-12-17-31)53-43(61)46(8)19-15-21-55(46)44(62)63-45(5,6)7/h10-14,16-18,20,26,28-30,34-37,39,56H,9,15,19,21-25,27H2,1-8H3,(H,47,50)(H,49,60)(H,51,59)(H,52,58)(H,53,61)(H,54,57)/t30?,34?,35?,36?,37?,39?,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against human plasma renin. |
J Med Chem 30: 536-41 (1987)
BindingDB Entry DOI: 10.7270/Q2V988PS |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50368110
(CHEMBL1790076)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=O)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C36H53N5O7/c1-8-24(6)33(36(48)41(7)30-16-12-13-17-37-30)40-34(46)26(23(4)5)20-29(42)27(18-22(2)3)39-35(47)28(21-32(44)45)38-31(43)19-25-14-10-9-11-15-25/h9-17,22-24,26-29,33,42H,8,18-21H2,1-7H3,(H,38,43)(H,39,47)(H,40,46)(H,44,45)/t24-,26+,27+,28-,29?,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 | 3.5 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 6 |
J Med Chem 33: 1337-43 (1990)
BindingDB Entry DOI: 10.7270/Q2WD4150 |
More data for this
Ligand-Target Pair | |
Search and Browse
