Found 15 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)) | BDBM50027362
(1-[2-(Hydroxy-phenoxy-phosphorylamino)-propionyl]-...)Show SMILES C[C@H](NP(O)(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/t10-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50021129
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...)Show SMILES C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027360
(5-Guanidino-2-{3-hydroxy-4-[2-(3-hydroxy-6-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C40H75N9O10/c1-20(2)15-27(30(51)19-33(54)45-26(39(58)59)13-12-14-43-40(41)42)46-36(55)25(11)44-32(53)18-29(50)28(16-21(3)4)47-37(56)35(24(9)10)49-38(57)34(23(7)8)48-31(52)17-22(5)6/h20-30,34-35,50-51H,12-19H2,1-11H3,(H,44,53)(H,45,54)(H,46,55)(H,47,56)(H,48,52)(H,49,57)(H,58,59)(H4,41,42,43)/t25-,26-,27-,28-,29?,30?,34-,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
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027365
(5-Guanidino-2-{3-hydroxy-4-[2-(3-hydroxy-6-methyl-...)Show SMILES COC(=O)[C@H](CCCNC(N)=N)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C41H77N9O10/c1-21(2)16-28(31(52)20-34(55)46-27(40(59)60-12)14-13-15-44-41(42)43)47-37(56)26(11)45-33(54)19-30(51)29(17-22(3)4)48-38(57)36(25(9)10)50-39(58)35(24(7)8)49-32(53)18-23(5)6/h21-31,35-36,51-52H,13-20H2,1-12H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,49,53)(H,50,58)(H4,42,43,44)/t26-,27-,28-,29-,30?,31?,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
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027358
(1-(3-Hydroxycarbamoyl-2-methyl-propionyl)-pyrrolid...)Show InChI InChI=1S/C10H16N2O5/c1-6(5-8(13)11-17)9(14)12-4-2-3-7(12)10(15)16/h6-7,17H,2-5H2,1H3,(H,11,13)(H,15,16)/t6-,7+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027353
(CHEMBL216386 | Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027357
(1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carbo...)Show InChI InChI=1S/C11H17NO5/c1-7(4-5-9(13)14)10(15)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,8+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027361
(CHEMBL384760 | Pro-His-Pro-His-Phe-Phe-Val-Tyr)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C63H75N13O11/c1-38(2)54(61(84)74-52(63(86)87)31-42-22-24-45(77)25-23-42)75-59(82)49(30-41-18-10-5-11-19-41)70-56(79)47(28-39-14-6-3-7-15-39)69-58(81)50(32-43-34-64-36-67-43)71-57(80)48(29-40-16-8-4-9-17-40)72-60(83)53-21-13-27-76(53)62(85)51(33-44-35-65-37-68-44)73-55(78)46-20-12-26-66-46/h3-11,14-19,22-25,34-38,46-54,66,77H,12-13,20-21,26-33H2,1-2H3,(H,64,67)(H,65,68)(H,69,81)(H,70,79)(H,71,80)(H,72,83)(H,73,78)(H,74,84)(H,75,82)(H,86,87)/t46-,47+,48+,49+,50+,51+,52+,53-,54+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022905
(CHEMBL438636 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027355
(2-[2-(Hydroxy-phenoxy-phosphorylamino)-3-phenyl-pr...)Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccccc1)NP(O)(=O)Oc1ccccc1)C(O)=O Show InChI InChI=1S/C18H21N2O6P/c1-13(18(22)23)19-17(21)16(12-14-8-4-2-5-9-14)20-27(24,25)26-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,21)(H,22,23)(H2,20,24,25)/t13-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027354
(1-(3-Carboxy-2-methyl-propionyl)-pyrrolidine-2-car...)Show InChI InChI=1S/C10H15NO5/c1-6(5-8(12)13)9(14)11-4-2-3-7(11)10(15)16/h6-7H,2-5H2,1H3,(H,12,13)(H,15,16)/t6-,7+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027364
(CHEMBL267446 | Pro-His-Pro-His-Leu-Phe-Val-Tyr)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](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C60H77N13O11/c1-35(2)25-44(53(76)67-46(27-38-15-9-6-10-16-38)56(79)72-51(36(3)4)58(81)71-49(60(83)84)28-39-19-21-42(74)22-20-39)66-55(78)47(29-40-31-61-33-64-40)68-54(77)45(26-37-13-7-5-8-14-37)69-57(80)50-18-12-24-73(50)59(82)48(30-41-32-62-34-65-41)70-52(75)43-17-11-23-63-43/h5-10,13-16,19-22,31-36,43-51,63,74H,11-12,17-18,23-30H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,76)(H,68,77)(H,69,80)(H,70,75)(H,71,81)(H,72,79)(H,83,84)/t43-,44+,45+,46+,47+,48+,49+,50-,51+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50027356
(CHEMBL441371 | Pro-His-Pro-His-Leu-Leu-Val-Tyr)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](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C57H79N13O11/c1-32(2)22-41(50(73)64-42(23-33(3)4)53(76)69-48(34(5)6)55(78)68-46(57(80)81)25-36-16-18-39(71)19-17-36)63-52(75)44(26-37-28-58-30-61-37)65-51(74)43(24-35-12-8-7-9-13-35)66-54(77)47-15-11-21-70(47)56(79)45(27-38-29-59-31-62-38)67-49(72)40-14-10-20-60-40/h7-9,12-13,16-19,28-34,40-48,60,71H,10-11,14-15,20-27H2,1-6H3,(H,58,61)(H,59,62)(H,63,75)(H,64,73)(H,65,74)(H,66,77)(H,67,72)(H,68,78)(H,69,76)(H,80,81)/t40-,41+,42+,43+,44+,45+,46+,47-,48+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this
Ligand-Target Pair | |
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