Found 18 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)) | BDBM98686
(US8497286, 162)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O5/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33)/t19-,21-,22+,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98680
(US8497286, 156)Show SMILES CCOC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C)C1CCCCC1 |r| Show InChI InChI=1S/C29H46N4O4/c1-5-37-18-25(20-9-7-6-8-10-20)32-28(34)21-13-22(16-30-15-21)29(35)33(23-11-12-23)27-14-26(36-4)24(17-31-27)19(2)3/h14,17,19-23,25,30H,5-13,15-16,18H2,1-4H3,(H,32,34)/t21-,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98676
(US8497286, 152)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O6/c1-7-39-18-21(13-19(2)3)33-29(36)24-15-31-16-25(28(24)35)30(37)34(22-9-10-22)27-14-26(40-12-8-11-38-6)23(17-32-27)20(4)5/h14,17,19-22,24-25,28,31,35H,7-13,15-16,18H2,1-6H3,(H,33,36)/t21-,24-,25+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98675
(US8497286, 151)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(CC(C)C)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C31H54N4O5/c1-9-39-20-26(13-21(2)3)34-30(36)24-14-25(17-32-16-24)31(37)35(19-22(4)5)29-15-28(40-12-10-11-38-8)27(18-33-29)23(6)7/h15,18,21-26,32H,9-14,16-17,19-20H2,1-8H3,(H,34,36)/t24-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98684
(US8497286, 160)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98690
(US8497286, 166)Show SMILES CCOC[C@H](NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O5/c1-6-17-12-28-23(11-22(17)35-8-3)30(18-9-10-18)26(33)20-14-27-13-19(24(20)31)25(32)29-21(16(4)5)15-34-7-2/h11-12,16,18-21,24,27,31H,6-10,13-15H2,1-5H3,(H,29,32)/t19-,20+,21+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98682
(US8497286, 158)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(CC(C)C)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C28H48N4O4/c1-9-36-17-23(10-18(2)3)31-27(33)21-11-22(14-29-13-21)28(34)32(16-19(4)5)26-12-25(35-8)24(15-30-26)20(6)7/h12,15,18-23,29H,9-11,13-14,16-17H2,1-8H3,(H,31,33)/t21-,22+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98685
(US8497286, 161)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-15-18(10-16(2)3)30-26(33)21-12-28-13-22(25(21)32)27(34)31(19-8-9-19)24-11-23(35-6)20(14-29-24)17(4)5/h11,14,16-19,21-22,25,28,32H,7-10,12-13,15H2,1-6H3,(H,30,33)/t18-,21-,22+,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98677
(US8497286, 153)Show SMILES CCOC[C@H](NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H40N4O3/c1-6-32-15-22(17(4)5)28-24(30)19-11-20(13-26-12-19)25(31)29(21-8-9-21)23-10-7-18(14-27-23)16(2)3/h7,10,14,16-17,19-22,26H,6,8-9,11-13,15H2,1-5H3,(H,28,30)/t19-,20+,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98679
(US8497286, 155)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98673
(US8497286, 149)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O3/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31)/t20-,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98683
(US8497286, 159)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)(C)OC |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-16-19(12-17(2)3)30-25(33)21-14-28-15-22(24(21)32)26(34)31(20-9-10-20)23-11-8-18(13-29-23)27(4,5)35-6/h8,11,13,17,19-22,24,28,32H,7,9-10,12,14-16H2,1-6H3,(H,30,33)/t19-,21-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98678
(US8497286, 154)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM98681
(US8497286, 157 | US8497286, 164)Show SMILES CCOC[C@H](NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H40N4O4/c1-6-33-14-21(16(4)5)28-24(31)19-12-26-13-20(23(19)30)25(32)29(18-8-9-18)22-10-7-17(11-27-22)15(2)3/h7,10-11,15-16,18-21,23,26,30H,6,8-9,12-14H2,1-5H3,(H,28,31)/t19-,20+,21+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98681
(US8497286, 157 | US8497286, 164)Show SMILES CCOC[C@H](NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H40N4O4/c1-6-33-14-21(16(4)5)28-24(31)19-12-26-13-20(23(19)30)25(32)29(18-8-9-18)22-10-7-17(11-27-22)15(2)3/h7,10-11,15-16,18-21,23,26,30H,6,8-9,12-14H2,1-5H3,(H,28,31)/t19-,20+,21+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98674
(US8497286, 150)Show SMILES CCOC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C)C1CCCCC1 |r| Show InChI InChI=1S/C28H44N4O3/c1-4-35-18-25(20-8-6-5-7-9-20)31-27(33)22-14-23(16-29-15-22)28(34)32(24-11-12-24)26-13-10-21(17-30-26)19(2)3/h10,13,17,19-20,22-25,29H,4-9,11-12,14-16,18H2,1-3H3,(H,31,33)/t22-,23+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98687
(US8497286, 163)Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(CC(C)C)c1cc(OCCCO)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H52N4O6/c1-8-39-18-22(12-19(2)3)33-29(37)24-14-31-15-25(28(24)36)30(38)34(17-20(4)5)27-13-26(40-11-9-10-35)23(16-32-27)21(6)7/h13,16,19-22,24-25,28,31,35-36H,8-12,14-15,17-18H2,1-7H3,(H,33,37)/t22-,24-,25+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM98689
(US8497286, 165)Show SMILES COC[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r,wU:16.20,12.12,6.9,17.19,wD:3.2,(11.34,-2.21,;10,-1.44,;8.67,-2.21,;7.34,-1.44,;7.34,.1,;6,.87,;4.67,.1,;4.67,-1.44,;6,-2.21,;3.33,.87,;2,.1,;2,-1.44,;.67,.87,;.67,2.41,;-.67,3.18,;-2,2.41,;-2,.87,;-.67,.1,;-.67,-1.44,;-3.33,.1,;-3.33,-1.44,;-4.67,.87,;-4.67,2.41,;-3.9,3.75,;-5.44,3.75,;-6,.1,;-7.34,.87,;-8.67,.1,;-10,.87,;-10,2.41,;-8.67,-1.44,;-7.34,-2.21,;-6,-1.44,;-10,-2.21,;-11.34,-1.44,;-10,-3.75,)| Show InChI InChI=1S/C27H42N4O5/c1-16(2)20-14-29-24(11-23(20)36-4)31(19-9-10-19)27(34)22-13-28-12-21(25(22)32)26(33)30-18-7-5-17(6-8-18)15-35-3/h11,14,16-19,21-22,25,28,32H,5-10,12-13,15H2,1-4H3,(H,30,33)/t17-,18-,21-,22+,25-/m1/s1 | PDB
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Reactome pathway
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DrugBank
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Inhibition activity of renin using FRET assay. |
US Patent US8497286 (2013)
BindingDB Entry DOI: 10.7270/Q27P8X1B |
More data for this
Ligand-Target Pair | |
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