Found 7 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
(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)) | 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)) | 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)) | BDBM50024161
((1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-ylme...)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C43H60N6O7/c1-8-29(4)38(41(54)45-27-32-21-15-16-22-44-32)49-37(51)26-36(50)33(23-28(2)3)46-39(52)34(24-30-17-11-9-12-18-30)47-40(53)35(25-31-19-13-10-14-20-31)48-42(55)56-43(5,6)7/h9-22,28-29,33-36,38,50H,8,23-27H2,1-7H3,(H,45,54)(H,46,52)(H,47,53)(H,48,55)(H,49,51) | 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 | 24 | 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)) | BDBM50024213
(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](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H69N7O8/c1-9-33(4)42(45(61)51-31-36-23-16-17-25-50-36)55-41(58)30-40(57)37(27-32(2)3)52-43(59)38(28-34-19-12-10-13-20-34)53-44(60)39(29-35-21-14-11-15-22-35)54-46(62)49(8)24-18-26-56(49)47(63)64-48(5,6)7/h10-17,19-23,25,32-33,37-40,42,57H,9,18,24,26-31H2,1-8H3,(H,51,61)(H,52,59)(H,53,60)(H,54,62)(H,55,58)/t33?,37?,38?,39?,40?,42?,49-/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 | 36 | 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)) | BDBM50367482
(CHEMBL1237142 | CHEMBL3144387)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)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C50H76N10O8/c1-11-33(6)43(46(64)54-28-35-20-15-16-22-52-35)58-47(65)42(32(4)5)53-29-41(61)37(24-31(2)3)56-45(63)40(26-36-27-51-30-55-36)59(10)48(66)38(25-34-18-13-12-14-19-34)57-44(62)39-21-17-23-60(39)49(67)68-50(7,8)9/h12-16,18-20,22,27,30-33,37-43,53,61H,11,17,21,23-26,28-29H2,1-10H3,(H,51,55)(H,54,64)(H,56,63)(H,57,62)(H,58,65)/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 | 40 | 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)) | BDBM50024215
(2-[1-(2-(1H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[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 Show InChI InChI=1S/C49H74N10O7/c1-11-33(6)41(44(62)53-28-35-20-15-16-22-51-35)58-45(63)40(32(4)5)52-29-37(24-31(2)3)55-42(60)39(26-36-27-50-30-54-36)56-43(61)38(25-34-18-13-12-14-19-34)57-46(64)49(10)21-17-23-59(49)47(65)66-48(7,8)9/h12-16,18-20,22,27,30-33,37-41,52H,11,17,21,23-26,28-29H2,1-10H3,(H,50,54)(H,53,62)(H,55,60)(H,56,61)(H,57,64)(H,58,63)/t33?,37?,38?,39?,40?,41?,49-/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 | 43 | 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 | |
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