BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'fung' and Initial = 'a'   
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))
BDBM50022633
PNG
(CHEMBL3142281 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H55N3O7/c1-7-43-33(41)36-28(20-24-13-15-25(42-6)16-14-24)32(40)35-27(17-21(2)3)31(39)34-26(19-23-11-9-8-10-12-23)30(38)29(37)18-22(4)5/h13-16,21-23,26-30,37-38H,7-12,17-20H2,1-6H3,(H,34,39)(H,35,40)(H,36,41)/t26-,27?,28?,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022635
PNG
(CHEMBL3142255 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H55N3O6/c1-6-45-36(44)39-31(22-27-17-12-16-26-15-10-11-18-28(26)27)35(43)38-30(19-23(2)3)34(42)37-29(21-25-13-8-7-9-14-25)33(41)32(40)20-24(4)5/h10-12,15-18,23-25,29-33,40-41H,6-9,13-14,19-22H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t29-,30?,31?,32-,33+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022647
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H53N5O6/c1-24(2)17-31(41)33(43)29(19-26-11-7-4-8-12-26)38-35(45)30(21-28-22-36-23-37-28)39-34(44)27(18-25-9-5-3-6-10-25)20-32(42)40-13-15-46-16-14-40/h3,5-6,9-10,22-24,26-27,29-31,33,41,43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t27-,29+,30+,31+,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.290n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022646
PNG
(CHEMBL307917 | Morpholine-4-carboxylic acid {1-[1-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C35H54N6O6/c1-24(2)19-31(42)32(43)29(20-26-11-7-4-8-12-26)38-34(45)30(21-27-22-36-23-37-27)39-33(44)28(14-13-25-9-5-3-6-10-25)40-35(46)41-15-17-47-18-16-41/h3,5-6,9-10,22-24,26,28-32,42-43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.300n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022619
PNG
(CHEMBL3348544 | N-[1-(1-Cyclohexylmethyl-2,3-dihyd...)
Show SMILES CC(C)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H53N5O4/c1-22(2)15-30(39)31(40)27(16-24-11-7-5-8-12-24)37-33(42)29(18-26-20-34-21-36-26)38-32(41)28(35-19-23(3)4)17-25-13-9-6-10-14-25/h6,9-10,13-14,20-24,27-31,35,39-40H,5,7-8,11-12,15-19H2,1-4H3,(H,34,36)(H,37,42)(H,38,41)/t27?,28?,29?,30-,31+/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/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022597
PNG
(CHEMBL3142268 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6/c1-6-41-32(40)35-27(20-24-15-11-8-12-16-24)31(39)34-26(17-21(2)3)30(38)33-25(19-23-13-9-7-10-14-23)29(37)28(36)18-22(4)5/h8,11-12,15-16,21-23,25-29,36-37H,6-7,9-10,13-14,17-20H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)/t25-,26?,27?,28?,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022650
PNG
(CHEMBL75117 | Morpholine-4-carboxylic acid {1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/t27-,28-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.350n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022643
PNG
(4-Hydroxy-piperidine-1-carboxylic acid {1-[1-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
Show InChI InChI=1S/C35H54N6O6/c1-23(2)17-31(43)32(44)28(18-24-9-5-3-6-10-24)38-34(46)30(20-26-21-36-22-37-26)39-33(45)29(19-25-11-7-4-8-12-25)40-35(47)41-15-13-27(42)14-16-41/h4,7-8,11-12,21-24,27-32,42-44H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,46)(H,39,45)(H,40,47)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.420n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022649
PNG
(CHEMBL76458 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)C
Show InChI InChI=1S/C32H50N6O5/c1-21(2)15-28(39)29(40)25(16-22-11-7-5-8-12-22)35-31(42)27(18-24-19-33-20-34-24)36-30(41)26(37-32(43)38(3)4)17-23-13-9-6-10-14-23/h6,9-10,13-14,19-22,25-29,39-40H,5,7-8,11-12,15-18H2,1-4H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)/t25-,26-,27-,28-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.5n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022628
PNG
(CHEMBL3142261 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CSC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6S/c1-21(2)17-27(36)28(37)24(18-22-13-9-7-10-14-22)33-30(39)26(20-42-6)34-29(38)25(19-23-15-11-8-12-16-23)35-31(40)41-32(3,4)5/h8,11-12,15-16,21-22,24-28,36-37H,7,9-10,13-14,17-20H2,1-6H3,(H,33,39)(H,34,38)(H,35,40)/t24?,25?,26?,27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022603
PNG
(CHEMBL3348551 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
Show InChI InChI=1S/C30H45N5O6/c1-3-26(36)27(37)23(15-20-11-7-5-8-12-20)33-29(39)25(17-22-18-31-19-32-22)34-28(38)24(35-30(40)41-4-2)16-21-13-9-6-10-14-21/h6,9-10,13-14,18-20,23-27,36-37H,3-5,7-8,11-12,15-17H2,1-2H3,(H,31,32)(H,33,39)(H,34,38)(H,35,40)/t23-,24?,25?,26?,27+/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/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022599
PNG
(CHEMBL3142262 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H57N3O6/c1-22(2)18-27(31(40)35-26(20-24-14-10-8-11-15-24)30(39)29(38)19-23(3)4)36-32(41)28(21-25-16-12-9-13-17-25)37-33(42)43-34(5,6)7/h9,12-13,16-17,22-24,26-30,38-39H,8,10-11,14-15,18-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)/t26?,27?,28?,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022645
PNG
(CHEMBL75510 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCO
Show InChI InChI=1S/C33H52N6O6/c1-22(2)16-29(41)30(42)26(17-23-10-6-4-7-11-23)36-32(44)28(19-25-20-34-21-35-25)37-31(43)27(18-24-12-8-5-9-13-24)38-33(45)39(3)14-15-40/h5,8-9,12-13,20-23,26-30,40-42H,4,6-7,10-11,14-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)(H,38,45)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.550n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022651
PNG
(CHEMBL306274 | Morpholine-4-carboxylic acid {1-[1-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)=NC(=O)N1CCOCC1 |w:37.40|
Show InChI InChI=1S/C34H50N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27,29-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)/t27-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.580n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022595
PNG
(CHEMBL3348552 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H49N5O6/c1-4-43-32(42)37-26(17-23-13-9-6-10-14-23)30(40)36-27(18-24-19-33-20-34-24)31(41)35-25(16-22-11-7-5-8-12-22)29(39)28(38)15-21(2)3/h6,9-10,13-14,19-22,25-29,38-39H,4-5,7-8,11-12,15-18H2,1-3H3,(H,33,34)(H,35,41)(H,36,40)(H,37,42)/t25-,26?,27?,28?,29+/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/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022598
PNG
(CHEMBL3348548 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H55N5O6/c1-23(2)16-17-30(41)31(42)27(18-24-12-8-6-9-13-24)38-33(44)29(20-26-21-36-22-37-26)39-32(43)28(19-25-14-10-7-11-15-25)40-34(45)46-35(3,4)5/h7,10-11,14-15,21-24,27-31,41-42H,6,8-9,12-13,16-20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t27-,28?,29?,30?,31+/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/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022644
PNG
(CHEMBL73712 | Piperazine-1-carboxylic acid {1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1
Show InChI InChI=1S/C34H53N7O5/c1-23(2)17-30(42)31(43)27(18-24-9-5-3-6-10-24)38-33(45)29(20-26-21-36-22-37-26)39-32(44)28(19-25-11-7-4-8-12-25)40-34(46)41-15-13-35-14-16-41/h4,7-8,11-12,21-24,27-31,35,42-43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.650n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin (pH 7.4)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022643
PNG
(4-Hydroxy-piperidine-1-carboxylic acid {1-[1-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
Show InChI InChI=1S/C35H54N6O6/c1-23(2)17-31(43)32(44)28(18-24-9-5-3-6-10-24)38-34(46)30(20-26-21-36-22-37-26)39-33(45)29(19-25-11-7-4-8-12-25)40-35(47)41-15-13-27(42)14-16-41/h4,7-8,11-12,21-24,27-32,42-44H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,46)(H,39,45)(H,40,47)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.680n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405479
PNG
(CHEMBL2028988)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(O)[C@H](CC(C)C)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)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C54H80N14O11/c1-10-32(6)44(50(74)64-41(52(76)77)23-36-26-57-29-60-36)67-49(73)43(31(4)5)66-47(71)37(19-30(2)3)61-46(70)39(21-34-24-55-27-58-34)62-45(69)38(20-33-15-12-11-13-16-33)63-48(72)42-17-14-18-68(42)51(75)40(22-35-25-56-28-59-35)65-53(78)79-54(7,8)9/h11-13,15-16,24-32,37-44,47,66,71H,10,14,17-23H2,1-9H3,(H,55,58)(H,56,59)(H,57,60)(H,61,70)(H,62,69)(H,63,72)(H,64,74)(H,65,78)(H,67,73)(H,76,77)/t32-,37-,38-,39-,40-,41-,42-,43-,44-,47?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human plasma renin


J Med Chem 30: 1729-37 (1987)


BindingDB Entry DOI: 10.7270/Q2MK6BW4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022630
PNG
(CHEMBL3348531 | Cyclohexanecarboxylic acid {1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C36H55N5O5/c1-24(2)18-32(42)33(43)29(19-25-12-6-3-7-13-25)39-36(46)31(21-28-22-37-23-38-28)41-35(45)30(20-26-14-8-4-9-15-26)40-34(44)27-16-10-5-11-17-27/h4,8-9,14-15,22-25,27,29-33,42-43H,3,5-7,10-13,16-21H2,1-2H3,(H,37,38)(H,39,46)(H,40,44)(H,41,45)/t29?,30?,31?,32-,33+/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/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022637
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C31H47N5O5/c1-20(2)14-28(38)29(39)25(15-22-10-6-4-7-11-22)35-31(41)27(17-24-18-32-19-33-24)36-30(40)26(34-21(3)37)16-23-12-8-5-9-13-23/h5,8-9,12-13,18-20,22,25-29,38-39H,4,6-7,10-11,14-17H2,1-3H3,(H,32,33)(H,34,37)(H,35,41)(H,36,40)/t25?,26?,27?,28-,29+/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/an/a 0.75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022653
PNG
(CHEMBL309345 | Morpholine-4-carboxylic acid [1-[1-...)
Show SMILES COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H54N6O7/c1-23(2)17-31(42)32(43)28(18-24-7-5-4-6-8-24)38-34(45)30(20-26-21-36-22-37-26)39-33(44)29(19-25-9-11-27(47-3)12-10-25)40-35(46)41-13-15-48-16-14-41/h9-12,21-24,28-32,42-43H,4-8,13-20H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.760n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022641
PNG
(2-Benzylidene-N-[1-(1-cyclohexylmethyl-2,3-dihydro...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)=Cc1ccccc1 |w:39.42|
Show InChI InChI=1S/C35H51N5O6/c1-24(2)17-31(41)33(43)29(19-26-11-7-4-8-12-26)38-35(45)30(21-28-22-36-23-37-28)39-34(44)27(18-25-9-5-3-6-10-25)20-32(42)40-13-15-46-16-14-40/h3,5-6,9-10,18,22-24,26,29-31,33,41,43H,4,7-8,11-17,19-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t29-,30-,31-,33+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.790n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022654
PNG
(CHEMBL265485 | Morpholine-4-carboxylic acid 1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1
Show InChI InChI=1S/C34H51N5O7/c1-23(2)17-29(40)31(41)27(18-24-9-5-3-6-10-24)37-32(42)28(20-26-21-35-22-36-26)38-33(43)30(19-25-11-7-4-8-12-25)46-34(44)39-13-15-45-16-14-39/h4,7-8,11-12,21-24,27-31,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,42)(H,38,43)/t27-,28-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.820n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin (pH 7.4)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022650
PNG
(CHEMBL75117 | Morpholine-4-carboxylic acid {1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/t27-,28-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.890n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin (pH 7.4)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006189
PNG
((4-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCc1ccccn1)C(C)C
Show InChI InChI=1S/C44H68N4O8/c1-5-6-20-40(56-41(29-34-17-11-8-12-18-34)43(51)48-25-21-36(22-26-48)55-31-53-4)42(50)46-38(28-33-15-9-7-10-16-33)39(49)30-37(32(2)3)47-44(52)54-27-23-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,49H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,50)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.900n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro activity against human renin (pH 6.0)


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006147
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O7/c1-5-30(33(39)35-28(21-25-12-8-6-9-13-25)32(38)29(37)20-24(2)3)43-31(22-26-14-10-7-11-15-26)34(40)36-18-16-27(17-19-36)42-23-41-4/h7,10-11,14-15,24-25,27-32,37-38H,5-6,8-9,12-13,16-23H2,1-4H3,(H,35,39)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.900n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006157
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H70N4O6/c1-6-8-20-35(43-37(27-32-18-14-11-15-19-32)41(49)45-24-21-33(22-25-45)51-29-50-5)40(48)44-36(26-31-16-12-10-13-17-31)38(46)28-34(30(3)4)39(47)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,43,46H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,47)(H,44,48)/t34-,35-,36-,37-,38-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.900n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50022642
PNG
(CHEMBL74765 | Morpholine-4-carboxylic acid (1-{[1-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C35H54N6O6/c1-24(2)18-31(42)32(43)28(19-25-10-6-4-7-11-25)38-33(44)30(21-27-22-36-23-37-27)40(3)34(45)29(20-26-12-8-5-9-13-26)39-35(46)41-14-16-47-17-15-41/h5,8-9,12-13,22-25,28-32,42-43H,4,6-7,10-11,14-21H2,1-3H3,(H,36,37)(H,38,44)(H,39,46)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.940n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin (pH 7.4)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022645
PNG
(CHEMBL75510 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCO
Show InChI InChI=1S/C33H52N6O6/c1-22(2)16-29(41)30(42)26(17-23-10-6-4-7-11-23)36-32(44)28(19-25-20-34-21-35-25)37-31(43)27(18-24-12-8-5-9-13-24)38-33(45)39(3)14-15-40/h5,8-9,12-13,20-23,26-30,40-42H,4,6-7,10-11,14-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)(H,38,45)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.980n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin (pH 7.4)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022615
PNG
(CHEMBL3348546 | N-{1-[1-(1-Cyclohexylmethyl-2,3-di...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C35H55N5O5/c1-23(2)16-30(41)32(43)27(17-24-12-8-6-9-13-24)39-34(45)29(19-26-21-36-22-37-26)40-33(44)28(18-25-14-10-7-11-15-25)38-31(42)20-35(3,4)5/h7,10-11,14-15,21-24,27-30,32,41,43H,6,8-9,12-13,16-20H2,1-5H3,(H,36,37)(H,38,42)(H,39,45)(H,40,44)/t27?,28?,29?,30-,32+/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/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006185
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H72N4O8/c1-5-6-17-39(55-40(29-34-15-11-8-12-16-34)43(51)47-21-18-35(19-22-47)54-31-52-4)42(50)45-37(28-33-13-9-7-10-14-33)38(48)30-36(32(2)3)41(49)44-20-23-46-24-26-53-27-25-46/h8,11-12,15-16,32-33,35-40,48H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,49)(H,45,50)/t36-,37-,38-,39-,40-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022611
PNG
(CHEMBL3142260 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O6/c1-23(2)19-29(40)30(41)26(20-24-13-8-6-9-14-24)36-32(43)28(22-39-18-12-17-35-39)37-31(42)27(21-25-15-10-7-11-16-25)38-33(44)45-34(3,4)5/h7,10-12,15-18,23-24,26-30,40-41H,6,8-9,13-14,19-22H2,1-5H3,(H,36,43)(H,37,42)(H,38,44)/t26?,27?,28?,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022607
PNG
(CHEMBL3348540 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H55N5O7/c1-22(2)16-30(41)31(42)27(17-23-10-8-7-9-11-23)38-33(44)29(19-25-20-36-21-37-25)39-32(43)28(40-34(45)47-35(3,4)5)18-24-12-14-26(46-6)15-13-24/h12-15,20-23,27-31,41-42H,7-11,16-19H2,1-6H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t27?,28?,29?,30-,31+/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/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022593
PNG
(CHEMBL3142304 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H51N3O6/c1-4-44-35(43)38-30(23-27-18-12-7-13-19-27)34(42)37-29(22-26-16-10-6-11-17-26)33(41)36-28(21-25-14-8-5-9-15-25)32(40)31(39)20-24(2)3/h6-7,10-13,16-19,24-25,28-32,39-40H,4-5,8-9,14-15,20-23H2,1-3H3,(H,36,41)(H,37,42)(H,38,43)/t28-,29?,30?,31-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022638
PNG
(CHEMBL3348542 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H55N5O6/c1-19(2)13-24(36-30(41)42-31(5,6)7)28(39)35-25(16-22-17-32-18-33-22)29(40)34-23(15-21-11-9-8-10-12-21)27(38)26(37)14-20(3)4/h17-21,23-27,37-38H,8-16H2,1-7H3,(H,32,33)(H,34,40)(H,35,39)(H,36,41)/t23?,24?,25?,26-,27+/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/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022620
PNG
(CHEMBL3348532 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H53N5O6/c1-22(2)15-30(40)31(41)27(16-24-11-7-5-8-12-24)37-33(43)29(18-26-19-35-21-36-26)38-32(42)28(17-25-13-9-6-10-14-25)39-34(44)45-20-23(3)4/h6,9-10,13-14,19,21-24,27-31,40-41H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t27?,28?,29?,30-,31+/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/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006206
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C44H68N4O7/c1-5-6-20-40(55-41(29-34-17-11-8-12-18-34)44(52)48-26-22-36(23-27-48)54-31-53-4)43(51)47-38(28-33-15-9-7-10-16-33)39(49)30-37(32(2)3)42(50)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,49H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,50)(H,47,51)/t37-,38-,39-,40-,41-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro activity against human renin (pH 6.0)


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036999
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nnc(N)[nH]1
Show InChI InChI=1S/C41H68N8O7/c1-5-6-17-35(56-36(25-30-15-11-8-12-16-30)39(53)49-22-18-31(19-23-49)55-27-54-4)38(52)45-33(24-29-13-9-7-10-14-29)34(50)26-32(28(2)3)37(51)43-20-21-44-41-46-40(42)47-48-41/h8,11-12,15-16,28-29,31-36,50H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,51)(H,45,52)(H4,42,44,46,47,48)/t32-,33-,34-,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
n/an/a 1.10n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.10n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.10n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro activity against human renin (pH 6.0)


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022636
PNG
(CHEMBL3142269 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
Show InChI InChI=1S/C30H49N3O6/c1-5-26(34)27(35)23(18-21-13-9-7-10-14-21)31-28(36)24(17-20(3)4)32-29(37)25(33-30(38)39-6-2)19-22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-27,34-35H,5-7,9-10,13-14,17-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)/t23-,24?,25?,26?,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006148
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H69N3O7/c1-6-8-20-37(51-38(27-32-18-14-11-15-19-32)41(48)44-24-21-33(22-25-44)50-29-49-5)40(47)43-35(26-31-16-12-10-13-17-31)36(45)28-34(30(3)4)39(46)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,45H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,46)(H,43,47)/t34-,35-,36-,37-,38-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.20n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006211
PNG
(CHEMBL49218 | {4-[2-(2-tert-Butoxycarbonylamino-3-...)
Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCCc1ccccn1
Show InChI InChI=1S/C42H61N7O7/c1-28(2)33(48-40(53)55-21-19-31-18-12-13-20-44-31)25-37(50)34(22-29-14-8-6-9-15-29)46-39(52)36(24-32-26-43-27-45-32)47-38(51)35(23-30-16-10-7-11-17-30)49-41(54)56-42(3,4)5/h7,10-13,16-18,20,26-29,33-37,50H,6,8-9,14-15,19,21-25H2,1-5H3,(H,43,45)(H,46,52)(H,47,51)(H,48,53)(H,49,54)/t33-,34-,35-,36-,37-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro activity against human renin (pH 6.0)


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006150
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES COCOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O7/c1-23(2)19-29(36)31(37)28(20-25-11-7-5-8-12-25)34-32(38)24(3)42-30(21-26-13-9-6-10-14-26)33(39)35-17-15-27(16-18-35)41-22-40-4/h6,9-10,13-14,23-25,27-31,36-37H,5,7-8,11-12,15-22H2,1-4H3,(H,34,38)/t24-,28-,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022647
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H53N5O6/c1-24(2)17-31(41)33(43)29(19-26-11-7-4-8-12-26)38-35(45)30(21-28-22-36-23-37-28)39-34(44)27(18-25-9-5-3-6-10-25)20-32(42)40-13-15-46-16-14-40/h3,5-6,9-10,22-24,26-27,29-31,33,41,43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t27-,29+,30+,31+,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human renin (pH 6.0)


J Med Chem 31: 2277-88 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1QQ4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036995
PNG
(1N-[3-methylamino(cyano imino)methylaminopropyl]-5...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(NC)=NC#N |w:54.57|
Show InChI InChI=1S/C43H71N7O7/c1-6-7-19-38(57-39(27-33-17-12-9-13-18-33)42(54)50-24-20-34(21-25-50)56-30-55-5)41(53)49-36(26-32-15-10-8-11-16-32)37(51)28-35(31(2)3)40(52)46-22-14-23-47-43(45-4)48-29-44/h9,12-13,17-18,31-32,34-39,51H,6-8,10-11,14-16,19-28,30H2,1-5H3,(H,46,52)(H,49,53)(H2,45,47,48)/t35-,36-,37-,38-,39-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006204
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C44H74N4O9/c1-5-6-18-40(57-41(30-35-16-11-8-12-17-35)44(52)47-22-19-36(20-23-47)56-32-54-4)43(51)46-38(29-34-14-9-7-10-15-34)39(49)31-37(33(2)3)42(50)45-21-13-24-48(53)25-27-55-28-26-48/h8,11-12,16-17,33-34,36-41,49H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,50)(H,46,51)/t37-,38-,39-,40-,41-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 482 total )  |  Next  |  Last  >>
Jump to: