BindingDB logo
myBDB logout

PubMed code 8120867

Compile data set for download or QSAR
Found 70 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))
BDBM17941
PNG
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50040384
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040390
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1)C(C)C
Show InChI InChI=1S/C31H55N2O6P/c1-7-9-18-29(39-40(37,38)20-14-17-25-15-12-11-13-16-25)31(36)33-27(21-23(3)4)28(34)22-26(24(5)6)30(35)32-19-10-8-2/h11-13,15-16,23-24,26-29,34H,7-10,14,17-22H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/t26-,27-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040388
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040383
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040382
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1R...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040398
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23-,26+,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040380
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23+,26+,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040395
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CC(C)C
Show InChI InChI=1S/C29H50NO6P/c1-4-5-18-27(36-37(34,35)19-12-17-23-13-8-6-9-14-23)29(33)30-25(21-24-15-10-7-11-16-24)28(32)26(31)20-22(2)3/h6,8-9,13-14,22,24-28,31-32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,34,35)/t25-,26?,27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040396
PNG
(CHEMBL342505 | Phenethyl-phosphonic acid mono-[(S)...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-18-29(39-40(37,38)21-19-25-14-10-8-11-15-25)31(36)33-27(23-26-16-12-9-13-17-26)28(34)22-24(3)30(35)32-20-7-5-2/h8,10-11,14-15,24,26-29,34H,4-7,9,12-13,16-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040389
PNG
((2R,3S)-4-Cyclohexyl-2-hydroxy-3-{(S)-2-[hydroxy-(...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C28H46NO7P/c1-4-5-18-25(36-37(33,34)19-12-17-22-13-8-6-9-14-22)27(31)29-24(20-23-15-10-7-11-16-23)26(30)28(32)35-21(2)3/h6,8-9,13-14,21,23-26,30H,4-5,7,10-12,15-20H2,1-3H3,(H,29,31)(H,33,34)/t24-,25-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50368956
PNG
(CHEMBL1791135)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C38H61N6O7P/c1-5-7-20-33(51-52(49,50)21-14-19-28-15-10-8-11-16-28)37(47)43-31(22-29-17-12-9-13-18-29)32(45)23-34(46)44-35(26(3)6-2)38(48)41-25-30-24-40-27(4)42-36(30)39/h8,10-11,15-16,24,26,29,31-33,35,45H,5-7,9,12-14,17-23,25H2,1-4H3,(H,41,48)(H,43,47)(H,44,46)(H,49,50)(H2,39,40,42)/t26-,31-,32-,33-,35+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040387
PNG
((3-Phenyl-propyl)-phosphonic acid mono-{(S)-1-[(1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C31H47N2O5PS/c1-2-3-18-29(38-39(36,37)22-12-17-25-13-6-4-7-14-25)31(35)33-27(24-26-15-8-5-9-16-26)28(34)20-23-40-30-19-10-11-21-32-30/h4,6-7,10-11,13-14,19,21,26-29,34H,2-3,5,8-9,12,15-18,20,22-24H2,1H3,(H,33,35)(H,36,37)/t27-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50040391
PNG
((4-Phenyl-butyl)-phosphonic acid mono-[(S)-1-((1R,...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCCc1ccccc1
Show InChI InChI=1S/C33H57N2O6P/c1-4-6-21-31(41-42(39,40)23-15-14-18-27-16-10-8-11-17-27)33(38)35-29(25-28-19-12-9-13-20-28)30(36)24-26(3)32(37)34-22-7-5-2/h8,10-11,16-17,26,28-31,36H,4-7,9,12-15,18-25H2,1-3H3,(H,34,37)(H,35,38)(H,39,40)/t26-,29+,30+,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of human renin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040390
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1)C(C)C
Show InChI InChI=1S/C31H55N2O6P/c1-7-9-18-29(39-40(37,38)20-14-17-25-15-12-11-13-16-25)31(36)33-27(21-23(3)4)28(34)22-26(24(5)6)30(35)32-19-10-8-2/h11-13,15-16,23-24,26-29,34H,7-10,14,17-22H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/t26-,27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040395
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CC(C)C
Show InChI InChI=1S/C29H50NO6P/c1-4-5-18-27(36-37(34,35)19-12-17-23-13-8-6-9-14-23)29(33)30-25(21-24-15-10-7-11-16-24)28(32)26(31)20-22(2)3/h6,8-9,13-14,22,24-28,31-32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,34,35)/t25-,26?,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040383
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50368956
PNG
(CHEMBL1791135)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C38H61N6O7P/c1-5-7-20-33(51-52(49,50)21-14-19-28-15-10-8-11-16-28)37(47)43-31(22-29-17-12-9-13-18-29)32(45)23-34(46)44-35(26(3)6-2)38(48)41-25-30-24-40-27(4)42-36(30)39/h8,10-11,15-16,24,26,29,31-33,35,45H,5-7,9,12-14,17-23,25H2,1-4H3,(H,41,48)(H,43,47)(H,44,46)(H,49,50)(H2,39,40,42)/t26-,31-,32-,33-,35+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040384
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040390
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1)C(C)C
Show InChI InChI=1S/C31H55N2O6P/c1-7-9-18-29(39-40(37,38)20-14-17-25-15-12-11-13-16-25)31(36)33-27(21-23(3)4)28(34)22-26(24(5)6)30(35)32-19-10-8-2/h11-13,15-16,23-24,26-29,34H,7-10,14,17-22H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/t26-,27-,28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040380
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23+,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040391
PNG
((4-Phenyl-butyl)-phosphonic acid mono-[(S)-1-((1R,...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCCc1ccccc1
Show InChI InChI=1S/C33H57N2O6P/c1-4-6-21-31(41-42(39,40)23-15-14-18-27-16-10-8-11-17-27)33(38)35-29(25-28-19-12-9-13-20-28)30(36)24-26(3)32(37)34-22-7-5-2/h8,10-11,16-17,26,28-31,36H,4-7,9,12-15,18-25H2,1-3H3,(H,34,37)(H,35,38)(H,39,40)/t26-,29+,30+,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040398
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23-,26+,27+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040398
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23-,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040389
PNG
((2R,3S)-4-Cyclohexyl-2-hydroxy-3-{(S)-2-[hydroxy-(...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C28H46NO7P/c1-4-5-18-25(36-37(33,34)19-12-17-22-13-8-6-9-14-22)27(31)29-24(20-23-15-10-7-11-16-23)26(30)28(32)35-21(2)3/h6,8-9,13-14,21,23-26,30H,4-5,7,10-12,15-20H2,1-3H3,(H,29,31)(H,33,34)/t24-,25-,26+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040387
PNG
((3-Phenyl-propyl)-phosphonic acid mono-{(S)-1-[(1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C31H47N2O5PS/c1-2-3-18-29(38-39(36,37)22-12-17-25-13-6-4-7-14-25)31(35)33-27(24-26-15-8-5-9-16-26)28(34)20-23-40-30-19-10-11-21-32-30/h4,6-7,10-11,13-14,19,21,26-29,34H,2-3,5,8-9,12,15-18,20,22-24H2,1H3,(H,33,35)(H,36,37)/t27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040388
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040392
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32-,43?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040386
PNG
((3-Phenyl-propyl)-phosphonic acid (S)-1-((1S,2S,4R...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OCC
Show InChI InChI=1S/C34H59N2O6P/c1-5-8-22-32(42-43(40,41-7-3)24-16-21-28-17-12-10-13-18-28)34(39)36-30(26-29-19-14-11-15-20-29)31(37)25-27(4)33(38)35-23-9-6-2/h10,12-13,17-18,27,29-32,37H,5-9,11,14-16,19-26H2,1-4H3,(H,35,38)(H,36,39)/t27-,30+,31+,32+,43?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040383
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040388
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040384
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50368956
PNG
(CHEMBL1791135)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C38H61N6O7P/c1-5-7-20-33(51-52(49,50)21-14-19-28-15-10-8-11-16-28)37(47)43-31(22-29-17-12-9-13-18-29)32(45)23-34(46)44-35(26(3)6-2)38(48)41-25-30-24-40-27(4)42-36(30)39/h8,10-11,15-16,24,26,29,31-33,35,45H,5-7,9,12-14,17-23,25H2,1-4H3,(H,41,48)(H,43,47)(H,44,46)(H,49,50)(H2,39,40,42)/t26-,31-,32-,33-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040385
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H52NO6P/c1-5-14-28(37-38(35,36-6-2)20-13-19-24-15-9-7-10-16-24)30(34)31-26(22-25-17-11-8-12-18-25)29(33)27(32)21-23(3)4/h7,9-10,15-16,23,25-29,32-33H,5-6,8,11-14,17-22H2,1-4H3,(H,31,34)/t26-,27-,28+,29+,38?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040380
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C29H49N2O6P/c1-4-5-18-30-28(33)22(2)20-27(32)26(21-25-15-10-7-11-16-25)31-29(34)23(3)37-38(35,36)19-12-17-24-13-8-6-9-14-24/h6,8-9,13-14,22-23,25-27,32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)/t22-,23+,26+,27+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040387
PNG
((3-Phenyl-propyl)-phosphonic acid mono-{(S)-1-[(1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C31H47N2O5PS/c1-2-3-18-29(38-39(36,37)22-12-17-25-13-6-4-7-14-25)31(35)33-27(24-26-15-8-5-9-16-26)28(34)20-23-40-30-19-10-11-21-32-30/h4,6-7,10-11,13-14,19,21,26-29,34H,2-3,5,8-9,12,15-18,20,22-24H2,1H3,(H,33,35)(H,36,37)/t27-,28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040391
PNG
((4-Phenyl-butyl)-phosphonic acid mono-[(S)-1-((1R,...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCCc1ccccc1
Show InChI InChI=1S/C33H57N2O6P/c1-4-6-21-31(41-42(39,40)23-15-14-18-27-16-10-8-11-17-27)33(38)35-29(25-28-19-12-9-13-20-28)30(36)24-26(3)32(37)34-22-7-5-2/h8,10-11,16-17,26,28-31,36H,4-7,9,12-15,18-25H2,1-3H3,(H,34,37)(H,35,38)(H,39,40)/t26-,29+,30+,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040389
PNG
((2R,3S)-4-Cyclohexyl-2-hydroxy-3-{(S)-2-[hydroxy-(...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C28H46NO7P/c1-4-5-18-25(36-37(33,34)19-12-17-22-13-8-6-9-14-22)27(31)29-24(20-23-15-10-7-11-16-23)26(30)28(32)35-21(2)3/h6,8-9,13-14,21,23-26,30H,4-5,7,10-12,15-20H2,1-3H3,(H,29,31)(H,33,34)/t24-,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040396
PNG
(CHEMBL342505 | Phenethyl-phosphonic acid mono-[(S)...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-18-29(39-40(37,38)21-19-25-14-10-8-11-15-25)31(36)33-27(23-26-16-12-9-13-17-26)28(34)22-24(3)30(35)32-20-7-5-2/h8,10-11,14-15,24,26-29,34H,4-7,9,12-13,16-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040396
PNG
(CHEMBL342505 | Phenethyl-phosphonic acid mono-[(S)...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCc1ccccc1
Show InChI InChI=1S/C31H53N2O6P/c1-4-6-18-29(39-40(37,38)21-19-25-14-10-8-11-15-25)31(36)33-27(23-26-16-12-9-13-17-26)28(34)22-24(3)30(35)32-20-7-5-2/h8,10-11,14-15,24,26-29,34H,4-7,9,12-13,16-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040394
PNG
((2R,4S,5S)N-butyl-6-cyclohexyl-4-hydroxy-2-methyl-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(CCCc1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H59N2O7P/c1-4-6-25-36(47-49(46,27-17-22-31-18-11-8-12-19-31)48-39(45)33-23-15-10-16-24-33)38(44)41-34(29-32-20-13-9-14-21-32)35(42)28-30(3)37(43)40-26-7-5-2/h8,10-12,15-16,18-19,23-24,30,32,34-36,42H,4-7,9,13-14,17,20-22,25-29H2,1-3H3,(H,40,43)(H,41,44)/t30-,34+,35+,36+,49?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040393
PNG
((3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S...)
Show SMILES CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Show InChI InChI=1S/C29H48NO6P/c1-3-12-26(36-37(34,35-4-2)20-11-17-22-13-7-5-8-14-22)29(33)30-25(21-23-15-9-6-10-16-23)28(32)27(31)24-18-19-24/h5,7-8,13-14,23-28,31-32H,3-4,6,9-12,15-21H2,1-2H3,(H,30,33)/t25-,26+,27-,28+,37?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040382
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1R...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50040382
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1R...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pepsin.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50040395
PNG
((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...)
Show SMILES CCCC[C@H](OP(O)(=O)CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CC(C)C
Show InChI InChI=1S/C29H50NO6P/c1-4-5-18-27(36-37(34,35)19-12-17-23-13-8-6-9-14-23)29(33)30-25(21-24-15-10-7-11-16-24)28(32)26(31)20-22(2)3/h6,8-9,13-14,22,24-28,31-32H,4-5,7,10-12,15-21H2,1-3H3,(H,30,33)(H,34,35)/t25-,26?,27-,28+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D.


J Med Chem 37: 486-97 (1994)


Article DOI: 10.1021/jm00030a008
BindingDB Entry DOI: 10.7270/Q2MW2HTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%