BindingDB logo
myBDB logout

PubMed code 19853442

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50311803
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CNC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311806
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3COC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H37ClF2N2O4/c1-21-24(6-3-7-31(21)42-2)18-40(26-12-13-26)35(41)32-27(17-25-19-43-20-30(32)39-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311799
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21|
Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-21(30(25)35)18-40(23-11-12-23)33(41)29-24(17-22-10-15-28(29)39-22)20-8-6-19(7-9-20)3-2-16-42-32-27(38)14-13-26(37)31(32)36/h1,4-9,13-14,22-23,28,39H,2-3,10-12,15-18H2/t22-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311801
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3COC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C33H31Cl3F2N2O3/c34-25-5-1-4-21(30(25)35)16-40(23-10-11-23)33(41)29-24(15-22-17-42-18-28(29)39-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39H,2-3,10-11,14-18H2/t22-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311809
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15,TLB:22:15:21:19.18,THB:12:14:21:19.18|
Show InChI InChI=1S/C35H37ClF2N2O3/c1-21-24(6-3-7-31(21)42-2)20-40(26-13-14-26)35(41)32-27(19-25-12-17-30(32)39-25)23-10-8-22(9-11-23)5-4-18-43-34-29(38)16-15-28(37)33(34)36/h3,6-11,15-16,25-26,30,39H,4-5,12-14,17-20H2,1-2H3/t25-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311807
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CCC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C36H39ClF2N2O3/c1-22-25(7-3-10-32(22)43-2)21-41(27-15-16-27)36(42)33-28(20-26-8-4-9-31(33)40-26)24-13-11-23(12-14-24)6-5-19-44-35-30(39)18-17-29(38)34(35)37/h3,7,10-14,17-18,26-27,31,40H,4-6,8-9,15-16,19-21H2,1-2H3/t26-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311800
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CCC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C34H33Cl3F2N2O2/c35-26-7-1-5-22(31(26)36)19-41(24-13-14-24)34(42)30-25(18-23-6-2-8-29(30)40-23)21-11-9-20(10-12-21)4-3-17-43-33-28(39)16-15-27(38)32(33)37/h1,5,7,9-12,15-16,23-24,29,40H,2-4,6,8,13-14,17-19H2/t23-,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311798
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C31H29Cl3F2N2O2/c32-25-5-1-4-21(28(25)33)18-38(22-10-11-22)31(39)24-17-37-15-14-23(24)20-8-6-19(7-9-20)3-2-16-40-30-27(36)13-12-26(35)29(30)34/h1,4-9,12-13,22,37H,2-3,10-11,14-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311805
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CNC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H38ClF2N3O3/c1-21-24(6-3-7-31(21)43-2)20-41(26-12-13-26)35(42)32-27(17-25-18-39-19-30(32)40-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39-40H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.37n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311810
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CCNC2)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |t:15|
Show InChI InChI=1S/C33H35ClF2N2O3/c1-21-24(6-3-7-30(21)40-2)20-38(25-12-13-25)33(39)27-19-37-17-16-26(27)23-10-8-22(9-11-23)5-4-18-41-32-29(36)15-14-28(35)31(32)34/h3,6-11,14-15,25,37H,4-5,12-13,16-20H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311804
PNG
((1S,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CS(=O)(=O)C[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C33H31Cl3F2N2O4S/c34-25-5-1-4-21(30(25)35)16-40(23-10-11-23)33(41)29-24(15-22-17-45(42,43)18-28(29)39-22)20-8-6-19(7-9-20)3-2-14-44-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39H,2-3,10-11,14-18H2/t22-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311796
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 |c:23|
Show InChI InChI=1S/C33H33Cl3F2N2O2/c1-33(2)19-39-17-24(32(41)40(23-12-13-23)18-22-6-3-7-25(34)29(22)35)28(33)21-10-8-20(9-11-21)5-4-16-42-31-27(38)15-14-26(37)30(31)36/h3,6-11,14-15,23,39H,4-5,12-13,16-19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311797
PNG
(8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC22CC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-22(29(25)35)18-40(23-10-11-23)32(41)24-17-39-19-33(14-15-33)28(24)21-8-6-20(7-9-21)3-2-16-42-31-27(38)13-12-26(37)30(31)36/h1,4-9,12-13,23,39H,2-3,10-11,14-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311803
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CNC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311806
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3COC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H37ClF2N2O4/c1-21-24(6-3-7-31(21)42-2)18-40(26-12-13-26)35(41)32-27(17-25-19-43-20-30(32)39-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311809
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15,TLB:22:15:21:19.18,THB:12:14:21:19.18|
Show InChI InChI=1S/C35H37ClF2N2O3/c1-21-24(6-3-7-31(21)42-2)20-40(26-13-14-26)35(41)32-27(19-25-12-17-30(32)39-25)23-10-8-22(9-11-23)5-4-18-43-34-29(38)16-15-28(37)33(34)36/h3,6-11,15-16,25-26,30,39H,4-5,12-14,17-20H2,1-2H3/t25-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311799
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21|
Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-21(30(25)35)18-40(23-11-12-23)33(41)29-24(17-22-10-15-28(29)39-22)20-8-6-19(7-9-20)3-2-16-42-32-27(38)14-13-26(37)31(32)36/h1,4-9,13-14,22-23,28,39H,2-3,10-12,15-18H2/t22-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311798
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C31H29Cl3F2N2O2/c32-25-5-1-4-21(28(25)33)18-38(22-10-11-22)31(39)24-17-37-15-14-23(24)20-8-6-19(7-9-20)3-2-16-40-30-27(36)13-12-26(35)29(30)34/h1,4-9,12-13,22,37H,2-3,10-11,14-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311805
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CNC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H38ClF2N3O3/c1-21-24(6-3-7-31(21)43-2)20-41(26-12-13-26)35(42)32-27(17-25-18-39-19-30(32)40-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39-40H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311801
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3COC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C33H31Cl3F2N2O3/c34-25-5-1-4-21(30(25)35)16-40(23-10-11-23)33(41)29-24(15-22-17-42-18-28(29)39-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39H,2-3,10-11,14-18H2/t22-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311808
PNG
((1S,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CS(=O)C[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H37ClF2N2O4S/c1-21-24(6-3-7-31(21)43-2)18-40(26-12-13-26)35(41)32-27(17-25-19-45(42)20-30(32)39-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39H,4-5,12-13,16-20H2,1-2H3/t25-,30+,45?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311810
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CCNC2)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |t:15|
Show InChI InChI=1S/C33H35ClF2N2O3/c1-21-24(6-3-7-30(21)40-2)20-38(25-12-13-25)33(39)27-19-37-17-16-26(27)23-10-8-22(9-11-23)5-4-18-41-32-29(36)15-14-28(35)31(32)34/h3,6-11,14-15,25,37H,4-5,12-13,16-20H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311807
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CCC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C36H39ClF2N2O3/c1-22-25(7-3-10-32(22)43-2)21-41(27-15-16-27)36(42)33-28(20-26-8-4-9-31(33)40-26)24-13-11-23(12-14-24)6-5-19-44-35-30(39)18-17-29(38)34(35)37/h3,7,10-14,17-18,26-27,31,40H,4-6,8-9,15-16,19-21H2,1-2H3/t26-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311800
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CCC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18|
Show InChI InChI=1S/C34H33Cl3F2N2O2/c35-26-7-1-5-22(31(26)36)19-41(24-13-14-24)34(42)30-25(18-23-6-2-8-29(30)40-23)21-11-9-20(10-12-21)4-3-17-43-33-28(39)16-15-27(38)32(33)37/h1,5,7,9-12,15-16,23-24,29,40H,2-4,6,8,13-14,17-19H2/t23-,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 113n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50311812
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(C)(C)CNC2)c1C |c:15|
Show InChI InChI=1S/C35H39ClF2N2O3/c1-22-25(8-5-9-30(22)42-4)20-40(26-14-15-26)34(41)27-19-39-21-35(2,3)31(27)24-12-10-23(11-13-24)7-6-18-43-33-29(38)17-16-28(37)32(33)36/h5,8-13,16-17,26,39H,6-7,14-15,18-21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311811
PNG
(8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C3(CC3)CNC2)c1C |c:15|
Show InChI InChI=1S/C35H37ClF2N2O3/c1-22-25(6-3-7-30(22)42-2)20-40(26-12-13-26)34(41)27-19-39-21-35(16-17-35)31(27)24-10-8-23(9-11-24)5-4-18-43-33-29(38)15-14-28(37)32(33)36/h3,6-11,14-15,26,39H,4-5,12-13,16-21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311813
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(F)(F)CNC2)c1C |c:15|
Show InChI InChI=1S/C33H33ClF4N2O3/c1-20-23(6-3-7-28(20)42-2)18-40(24-12-13-24)32(41)25-17-39-19-33(37,38)29(25)22-10-8-21(9-11-22)5-4-16-43-31-27(36)15-14-26(35)30(31)34/h3,6-11,14-15,24,39H,4-5,12-13,16-19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311802
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2(F)F)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C31H27Cl3F4N2O2/c32-23-5-1-4-20(27(23)33)16-40(21-10-11-21)30(41)22-15-39-17-31(37,38)26(22)19-8-6-18(7-9-19)3-2-14-42-29-25(36)13-12-24(35)28(29)34/h1,4-9,12-13,21,39H,2-3,10-11,14-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50311806
PNG
((1S,5S)-7-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3COC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Show InChI InChI=1S/C35H37ClF2N2O4/c1-21-24(6-3-7-31(21)42-2)18-40(26-12-13-26)35(41)32-27(17-25-19-43-20-30(32)39-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50311798
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C31H29Cl3F2N2O2/c32-25-5-1-4-21(28(25)33)18-38(22-10-11-22)31(39)24-17-37-15-14-23(24)20-8-6-19(7-9-20)3-2-16-40-30-27(36)13-12-26(35)29(30)34/h1,4-9,12-13,22,37H,2-3,10-11,14-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50311799
PNG
((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21|
Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-21(30(25)35)18-40(23-11-12-23)33(41)29-24(17-22-10-15-28(29)39-22)20-8-6-19(7-9-20)3-2-16-42-32-27(38)14-13-26(37)31(32)36/h1,4-9,13-14,22-23,28,39H,2-3,10-12,15-18H2/t22-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311796
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 |c:23|
Show InChI InChI=1S/C33H33Cl3F2N2O2/c1-33(2)19-39-17-24(32(41)40(23-12-13-23)18-22-6-3-7-25(34)29(22)35)28(33)21-10-8-20(9-11-21)5-4-16-42-31-27(38)15-14-26(37)30(31)36/h3,6-11,14-15,23,39H,4-5,12-13,16-19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311797
PNG
(8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC22CC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-22(29(25)35)18-40(23-10-11-23)32(41)24-17-39-19-33(14-15-33)28(24)21-8-6-20(7-9-21)3-2-16-42-31-27(38)13-12-26(37)30(31)36/h1,4-9,12-13,23,39H,2-3,10-11,14-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311812
PNG
(4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(C)(C)CNC2)c1C |c:15|
Show InChI InChI=1S/C35H39ClF2N2O3/c1-22-25(8-5-9-30(22)42-4)20-40(26-14-15-26)34(41)27-19-39-21-35(2,3)31(27)24-12-10-23(11-13-24)7-6-18-43-33-29(38)17-16-28(37)32(33)36/h5,8-13,16-17,26,39H,6-7,14-15,18-21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50311811
PNG
(8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C3(CC3)CNC2)c1C |c:15|
Show InChI InChI=1S/C35H37ClF2N2O3/c1-22-25(6-3-7-30(22)42-2)20-40(26-12-13-26)34(41)27-19-39-21-35(16-17-35)31(27)24-10-8-23(9-11-24)5-4-18-43-33-29(38)15-14-28(37)32(33)36/h3,6-11,14-15,26,39H,4-5,12-13,16-21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay


Bioorg Med Chem Lett 19: 6762-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.104
BindingDB Entry DOI: 10.7270/Q23F4PRP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%