BindingDB logo
myBDB logout

PubMed code 10360744

Compile data set for download or QSAR
Found 26 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))		BDBM50077669
PNG
((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
n/an/a 0.0250n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50077678
PNG
((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC
Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077688
PNG
((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H37NO4/c1-35-32-10-5-4-9-29(32)24-36-19-6-20-37-30-15-13-27(14-16-30)31-17-18-34-22-33(31)38-23-25-11-12-26-7-2-3-8-28(26)21-25/h2-5,7-16,21,31,33-34H,6,17-20,22-24H2,1H3/t31-,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 1.5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077689
PNG
((3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(naph...)
Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/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 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077682
PNG
(Benzoic acid 2-{4-[(3R,4R)-3-(naphthalen-2-ylmetho...)
Show SMILES O=C(OCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H31NO4/c33-31(26-7-2-1-3-8-26)35-19-18-34-28-14-12-25(13-15-28)29-16-17-32-21-30(29)36-22-23-10-11-24-6-4-5-9-27(24)20-23/h1-15,20,29-30,32H,16-19,21-22H2/t29-,30+/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 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077671
PNG
((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(3-phenyl-...)
Show SMILES C(Oc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C31H29N3O3/c1-2-7-25(8-3-1)31-33-30(37-34-31)21-35-27-14-12-24(13-15-27)28-16-17-32-19-29(28)36-20-22-10-11-23-6-4-5-9-26(23)18-22/h1-15,18,28-29,32H,16-17,19-21H2/t28-,29+/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 41n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077690
PNG
((3R,4R)-4-[4-(2-Benzyloxy-ethoxy)-phenyl]-3-(napht...)
Show SMILES C(COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)OCc1ccccc1
Show InChI InChI=1S/C31H33NO3/c1-2-6-24(7-3-1)22-33-18-19-34-29-14-12-27(13-15-29)30-16-17-32-21-31(30)35-23-25-10-11-26-8-4-5-9-28(26)20-25/h1-15,20,30-32H,16-19,21-23H2/t30-,31+/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 53n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077679
PNG
(Benzoic acid 4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)...)
Show SMILES O=C(OCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H29NO3/c32-30(26-7-2-1-3-8-26)34-20-22-10-14-25(15-11-22)28-16-17-31-19-29(28)33-21-23-12-13-24-6-4-5-9-27(24)18-23/h1-15,18,28-29,31H,16-17,19-21H2/t28-,29+/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 55n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077685
PNG
(3-Methoxy-benzoic acid 4-[(3R,4R)-3-(naphthalen-2-...)
Show SMILES COc1cccc(c1)C(=O)OCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H31NO4/c1-34-28-8-4-7-27(18-28)31(33)36-20-22-9-13-25(14-10-22)29-15-16-32-19-30(29)35-21-23-11-12-24-5-2-3-6-26(24)17-23/h2-14,17-18,29-30,32H,15-16,19-21H2,1H3/t29-,30+/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 87n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077691
PNG
((3R,4R)-4-[4-(2-Benzyloxy-ethoxymethyl)-phenyl]-3-...)
Show SMILES C(COCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)OCc1ccccc1
Show InChI InChI=1S/C32H35NO3/c1-2-6-25(7-3-1)22-34-18-19-35-23-26-10-14-29(15-11-26)31-16-17-33-21-32(31)36-24-27-12-13-28-8-4-5-9-30(28)20-27/h1-15,20,31-33H,16-19,21-24H2/t31-,32+/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 91n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077667
PNG
((3R,4R)-4-[4-(4-Benzyloxy-butoxy)-phenyl]-3-(napht...)
Show SMILES C(CCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)COCc1ccccc1
Show InChI InChI=1S/C33H37NO3/c1-2-8-26(9-3-1)24-35-20-6-7-21-36-31-16-14-29(15-17-31)32-18-19-34-23-33(32)37-25-27-12-13-28-10-4-5-11-30(28)22-27/h1-5,8-17,22,32-34H,6-7,18-21,23-25H2/t32-,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 100n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077673
PNG
((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(2-pheneth...)
Show SMILES C(COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)OCCc1ccccc1
Show InChI InChI=1S/C32H35NO3/c1-2-6-25(7-3-1)17-19-34-20-21-35-30-14-12-28(13-15-30)31-16-18-33-23-32(31)36-24-26-10-11-27-8-4-5-9-29(27)22-26/h1-15,22,31-33H,16-21,23-24H2/t31-,32+/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 160n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077676
PNG
((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(2-phenoxy...)
Show SMILES C(COc1ccccc1)OCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H33NO3/c1-2-8-29(9-3-1)34-19-18-33-22-24-10-14-27(15-11-24)30-16-17-32-21-31(30)35-23-25-12-13-26-6-4-5-7-28(26)20-25/h1-15,20,30-32H,16-19,21-23H2/t30-,31+/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 160n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077677
PNG
(2-(3-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperi...)
Show SMILES C(COCc1ccccn1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H34N2O3/c1-2-7-27-20-24(9-10-25(27)6-1)22-36-31-21-32-17-15-30(31)26-11-13-29(14-12-26)35-19-5-18-34-23-28-8-3-4-16-33-28/h1-4,6-14,16,20,30-32H,5,15,17-19,21-23H2/t30-,31+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077666
PNG
(4-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperidin...)
Show SMILES O=C(CCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C32H33NO3/c34-31(27-8-2-1-3-9-27)11-6-20-35-29-16-14-26(15-17-29)30-18-19-33-22-32(30)36-23-24-12-13-25-7-4-5-10-28(25)21-24/h1-5,7-10,12-17,21,30,32-33H,6,11,18-20,22-23H2/t30-,32+/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 220n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077668
PNG
((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(4-phenoxy...)
Show SMILES C(CCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)COc1ccccc1
Show InChI InChI=1S/C32H35NO3/c1-2-10-29(11-3-1)34-20-6-7-21-35-30-16-14-27(15-17-30)31-18-19-33-23-32(31)36-24-25-12-13-26-8-4-5-9-28(26)22-25/h1-5,8-17,22,31-33H,6-7,18-21,23-24H2/t31-,32+/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 220n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077680
PNG
((3R,4R)-3-(Naphthalen-2-ylmethoxy)-4-[4-(3-phenoxy...)
Show SMILES C(COCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)COc1ccccc1
Show InChI InChI=1S/C32H35NO3/c1-2-9-30(10-3-1)35-20-6-19-34-23-25-11-15-28(16-12-25)31-17-18-33-22-32(31)36-24-26-13-14-27-7-4-5-8-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/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 540n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077684
PNG
(CHEMBL283237 | Nicotinic acid 2-{4-[(3R,4R)-3-(nap...)
Show SMILES O=C(OCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C30H30N2O4/c33-30(26-6-3-14-31-19-26)35-17-16-34-27-11-9-24(10-12-27)28-13-15-32-20-29(28)36-21-22-7-8-23-4-1-2-5-25(23)18-22/h1-12,14,18-19,28-29,32H,13,15-17,20-21H2/t28-,29+/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 580n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077687
PNG
((3R,4R)-4-[4-(3-Benzyloxy-propoxymethyl)-phenyl]-3...)
Show SMILES C(COCc1ccccc1)COCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H37NO3/c1-2-7-26(8-3-1)23-35-19-6-20-36-24-27-11-15-30(16-12-27)32-17-18-34-22-33(32)37-25-28-13-14-29-9-4-5-10-31(29)21-28/h1-5,7-16,21,32-34H,6,17-20,22-25H2/t32-,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 740n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077675
PNG
(3-(5-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperi...)
Show SMILES C(Oc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C30H28N4O3/c1-2-5-24-16-21(7-8-22(24)4-1)19-36-28-18-32-15-13-27(28)23-9-11-26(12-10-23)35-20-29-33-30(34-37-29)25-6-3-14-31-17-25/h1-12,14,16-17,27-28,32H,13,15,18-20H2/t27-,28+/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 880n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077674
PNG
(CHEMBL431689 | N-(2-{4-[(3R,4R)-3-(Naphthalen-2-yl...)
Show SMILES O=C(NCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H32N2O3/c34-31(26-7-2-1-3-8-26)33-18-19-35-28-14-12-25(13-15-28)29-16-17-32-21-30(29)36-22-23-10-11-24-6-4-5-9-27(24)20-23/h1-15,20,29-30,32H,16-19,21-22H2,(H,33,34)/t29-,30+/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 2.60E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077686
PNG
((3R,4R)-4-(4-Chloro-phenyl)-3-(4-methoxy-benzyloxy...)
Show SMILES COc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H22ClNO2/c1-22-17-8-2-14(3-9-17)13-23-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3/t18-,19+/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 2.60E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077672
PNG
(CHEMBL286733 | N-{4-[(3R,4R)-3-(Naphthalen-2-ylmet...)
Show SMILES O=S(=O)(NCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C29H30N2O3S/c32-35(33,27-8-2-1-3-9-27)31-19-22-10-14-25(15-11-22)28-16-17-30-20-29(28)34-21-23-12-13-24-6-4-5-7-26(24)18-23/h1-15,18,28-31H,16-17,19-21H2/t28-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077683
PNG
(4-(4-Chloro-phenyl)-3-(4-methoxy-benzyloxy)-piperi...)
Show SMILES COc1ccc(COC2CNCCC2c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H22ClNO2/c1-22-17-8-2-14(3-9-17)13-23-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077681
PNG
(4-Methoxy-N-{4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)...)
Show SMILES COc1ccc(cc1)C(=O)NCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H32N2O3/c1-35-28-14-12-26(13-15-28)31(34)33-19-22-6-10-25(11-7-22)29-16-17-32-20-30(29)36-21-23-8-9-24-4-2-3-5-27(24)18-23/h2-15,18,29-30,32H,16-17,19-21H2,1H3,(H,33,34)/t29-,30+/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>1.00E+6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50077670
PNG
((3S,4S)-4-(4-Chloro-phenyl)-3-(4-methoxy-benzyloxy...)
Show SMILES COc1ccc(CO[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H22ClNO2/c1-22-17-8-2-14(3-9-17)13-23-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3/t18-,19+/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 1.20E+6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified recombinant human renin

Bioorg Med Chem Lett 9: 1397-402 (1999)


BindingDB Entry DOI: 10.7270/Q24F1PWN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%