Found 8 hits of Enzyme Inhibition Constant Data 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
(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
(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) | 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
(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
(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
(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
(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 | |
Search and Browse
