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11 similar compounds to monomer 50010479

Compile data set for download or QSAR
Wt: 443.4
BDBM50043738
Wt: 457.5
BDBM50043741
Wt: 443.4
BDBM50043744
Wt: 443.4
BDBM50043746
Wt: 443.4
BDBM50043753
Wt: 457.5
BDBM50043757
Wt: 485.5
BDBM50010478
Wt: 493.4
BDBM50010480
Wt: 501.4
BDBM50010482
Wt: 535.5
BDBM50010477
Wt: 477.4
BDBM50010481

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50043738,50043741,50043744,50043746,50043753,50043757,50010478,50010480,50010482,50010477,50010481   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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11n/an/an/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010478
PNG
(CHEMBL3264009)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C22H36N3O7P/c1-6-14(4)20(23-15(5)26)22(29)24-18(11-13(2)3)21(28)25-19(33(30,31)32)12-16-7-9-17(27)10-8-16/h7-10,13-14,18-20,27H,6,11-12H2,1-5H3,(H,23,26)(H,24,29)(H,25,28)(H2,30,31,32)/t14-,18-,19+,20-/m0/s1
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21n/an/an/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010478
PNG
(CHEMBL3264009)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C22H36N3O7P/c1-6-14(4)20(23-15(5)26)22(29)24-18(11-13(2)3)21(28)25-19(33(30,31)32)12-16-7-9-17(27)10-8-16/h7-10,13-14,18-20,27H,6,11-12H2,1-5H3,(H,23,26)(H,24,29)(H,25,28)(H2,30,31,32)/t14-,18-,19+,20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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75n/an/an/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043753
PNG
(((S)-1-{(R)-1-[(S)-2-(4-Methoxy-phenyl)-1-methylca...)
Show SMILES CC[C@@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C20H34N3O6P/c1-6-18(30(26,27)28)22-16(11-13(2)3)20(25)23-17(19(24)21-4)12-14-7-9-15(29-5)10-8-14/h7-10,13,16-18,22H,6,11-12H2,1-5H3,(H,21,24)(H,23,25)(H2,26,27,28)/t16-,17+,18+/m1/s1
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n/an/a 3.93E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043757
PNG
((1-{1-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)NC(C(C)C)P(O)(O)=O
Show InChI InChI=1S/C21H36N3O6P/c1-13(2)11-17(24-21(14(3)4)31(27,28)29)20(26)23-18(19(25)22-5)12-15-7-9-16(30-6)10-8-15/h7-10,13-14,17-18,21,24H,11-12H2,1-6H3,(H,22,25)(H,23,26)(H2,27,28,29)/t17?,18-,21?/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair
Peptidyl-dipeptidase dcp


(Escherichia coli (strain K12))
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dipeptidyl carboxypeptidase assessed as FAPGG substrate hydrolysis


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50010478
PNG
(CHEMBL3264009)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C22H36N3O7P/c1-6-14(4)20(23-15(5)26)22(29)24-18(11-13(2)3)21(28)25-19(33(30,31)32)12-16-7-9-17(27)10-8-16/h7-10,13-14,18-20,27H,6,11-12H2,1-5H3,(H,23,26)(H,24,29)(H,25,28)(H2,30,31,32)/t14-,18-,19+,20-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung somatic ACE using FAPGG substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010478
PNG
(CHEMBL3264009)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C22H36N3O7P/c1-6-14(4)20(23-15(5)26)22(29)24-18(11-13(2)3)21(28)25-19(33(30,31)32)12-16-7-9-17(27)10-8-16/h7-10,13-14,18-20,27H,6,11-12H2,1-5H3,(H,23,26)(H,24,29)(H,25,28)(H2,30,31,32)/t14-,18-,19+,20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50010480
PNG
(CHEMBL3264008)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O7P/c1-14(2)21(24-3)23(30)25-19(12-15-4-8-17(27)9-5-15)22(29)26-20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,24,27-28H,12-13H2,1-3H3,(H,25,30)(H,26,29)(H2,31,32,33)/t19-,20+,21-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung somatic ACE using FAPGG substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010481
PNG
(CHEMBL3264007)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O6P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(33(30,31)32)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28)(H2,30,31,32)/t19-,20+,21-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50010477
PNG
(CHEMBL1233799)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung somatic ACE using FAPGG substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50010481
PNG
(CHEMBL3264007)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O6P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(33(30,31)32)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28)(H2,30,31,32)/t19-,20+,21-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung somatic ACE using FAPGG substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50010482
PNG
(CHEMBL3264356)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C21H32N3O9P/c1-4-12(2)19(22-13(3)25)21(30)23-16(9-10-18(27)28)20(29)24-17(34(31,32)33)11-14-5-7-15(26)8-6-14/h5-8,12,16-17,19,26H,4,9-11H2,1-3H3,(H,22,25)(H,23,30)(H,24,29)(H,27,28)(H2,31,32,33)/t12-,16-,17+,19-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung somatic ACE using FAPGG substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010480
PNG
(CHEMBL3264008)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O7P/c1-14(2)21(24-3)23(30)25-19(12-15-4-8-17(27)9-5-15)22(29)26-20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,24,27-28H,12-13H2,1-3H3,(H,25,30)(H,26,29)(H2,31,32,33)/t19-,20+,21-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010480
PNG
(CHEMBL3264008)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O7P/c1-14(2)21(24-3)23(30)25-19(12-15-4-8-17(27)9-5-15)22(29)26-20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,24,27-28H,12-13H2,1-3H3,(H,25,30)(H,26,29)(H2,31,32,33)/t19-,20+,21-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010481
PNG
(CHEMBL3264007)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C23H32N3O6P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(33(30,31)32)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28)(H2,30,31,32)/t19-,20+,21-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043746
PNG
(((R)-1-{(R)-1-[(S)-2-(4-Methoxy-phenyl)-1-methylca...)
Show SMILES CC[C@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C20H34N3O6P/c1-6-18(30(26,27)28)22-16(11-13(2)3)20(25)23-17(19(24)21-4)12-14-7-9-15(29-5)10-8-14/h7-10,13,16-18,22H,6,11-12H2,1-5H3,(H,21,24)(H,23,25)(H2,26,27,28)/t16-,17+,18-/m1/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043744
PNG
(((S)-1-{(S)-1-[(S)-2-(4-Methoxy-phenyl)-1-methylca...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C20H34N3O6P/c1-6-18(30(26,27)28)22-16(11-13(2)3)20(25)23-17(19(24)21-4)12-14-7-9-15(29-5)10-8-14/h7-10,13,16-18,22H,6,11-12H2,1-5H3,(H,21,24)(H,23,25)(H2,26,27,28)/t16-,17-,18-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010478
PNG
(CHEMBL3264009)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C22H36N3O7P/c1-6-14(4)20(23-15(5)26)22(29)24-18(11-13(2)3)21(28)25-19(33(30,31)32)12-16-7-9-17(27)10-8-16/h7-10,13-14,18-20,27H,6,11-12H2,1-5H3,(H,23,26)(H,24,29)(H,25,28)(H2,30,31,32)/t14-,18-,19+,20-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Vanderbilt University Department of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


ACS Med Chem Lett 5: 346-51 (2014)


Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043738
PNG
(((R)-1-{(S)-1-[(S)-2-(4-Methoxy-phenyl)-1-methylca...)
Show SMILES CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C20H34N3O6P/c1-6-18(30(26,27)28)22-16(11-13(2)3)20(25)23-17(19(24)21-4)12-14-7-9-15(29-5)10-8-14/h7-10,13,16-18,22H,6,11-12H2,1-5H3,(H,21,24)(H,23,25)(H2,26,27,28)/t16-,17-,18+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043741
PNG
((1-{1-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-...)
Show SMILES CCCC(NC(CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Show InChI InChI=1S/C21H36N3O6P/c1-6-7-19(31(27,28)29)23-17(12-14(2)3)21(26)24-18(20(25)22-4)13-15-8-10-16(30-5)11-9-15/h8-11,14,17-19,23H,6-7,12-13H2,1-5H3,(H,22,25)(H,24,26)(H2,27,28,29)/t17?,18-,19?/m0/s1
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n/an/a 1.57E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase


J Med Chem 37: 158-69 (1994)


Article DOI: 10.1021/jm00027a020
BindingDB Entry DOI: 10.7270/Q25M64SM
More data for this
Ligand-Target Pair