new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'mcmartin' and Initial = 'c'   
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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006111
PNG
((ZFPLA) 2-[2-(2-Benzyloxycarbonylamino-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C26H34N3O9P/c1-17(2)14-21(23(30)27-18(3)25(32)33)28-24(31)22(15-19-10-6-4-7-11-19)29(39(35,36)37)26(34)38-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)(H2,35,36,37)/t18-,21-,22-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0680n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006110
PNG
((ZGPLA) 2-[2-(2-Benzyloxycarbonylamino-acetylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H34N3O9P/c1-14(2)10-17(20(27)24-18(21(28)29)11-15(3)4)23-19(26)12-25(35(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.10n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
28n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006117
PNG
((CLT) 2-{1-[1-Carboxy-2-(1H-indol-3-yl)-ethylcarba...)
Show SMILES CC(C)C[C@H](NC(CCCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H35N3O5/c1-18(2)15-24(30-23(27(33)34)14-8-11-19-9-4-3-5-10-19)26(32)31-25(28(35)36)16-20-17-29-22-13-7-6-12-21(20)22/h3-7,9-10,12-13,17-18,23-25,29-30H,8,11,14-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)/t23?,24-,25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
50n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006114
PNG
((HONH-BAGN) N-(1-{[(4-Nitro-phenylcarbamoyl)-methy...)
Show SMILES C[C@H](NC(=O)CC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O6/c1-14(23-19(27)12-18(26)11-15-5-3-2-4-6-15)21(29)22-13-20(28)24-16-7-9-17(10-8-16)25(30)31/h2-10,14H,11-13H2,1H3,(H,22,29)(H,23,27)(H,24,28)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
430n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006113
PNG
((BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-eth...)
Show SMILES C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
750n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006115
PNG
((R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2...)
Show SMILES OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PDB
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006116
PNG
((ZGP(O)LL)Cbz-Glyp-(O)-L-Leu-L-Leu | CHEMBL48051)
Show SMILES CC(C)C[C@H](NOC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C22H34N3O10P/c1-14(2)10-17(20(27)23-18(21(28)29)11-15(3)4)24-35-19(26)12-25(36(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18,24H,10-13H2,1-4H3,(H,23,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006112
PNG
(((S)-1-Carbamoyl-3-methyl-butyl)-phosphoramidic ac...)
Show SMILES CC(C)C[C@H](NP(O)(O)=O)C(N)=O
Show InChI InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
2.13E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056262
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056259
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50056247
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056247
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056262
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056250
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056248
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056253
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056253
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056254
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)9-3-1-2-6-12-7-4-5-8-13(12)10-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056254
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)9-3-1-2-6-12-7-4-5-8-13(12)10-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056261
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 118n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056256
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056256
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056259
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 175n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056248
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 224n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056250
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056261
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 445n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056256
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056260
PNG
(2-((S)-3-Mercapto-2-methyl-propionyl)-2,3,4,9-tetr...)
Show SMILES C[C@H](CS)C(=O)N1Cc2[nH]c3ccccc3c2CC1C(O)=O
Show InChI InChI=1S/C16H18N2O3S/c1-9(8-22)15(19)18-7-13-11(6-14(18)16(20)21)10-4-2-3-5-12(10)17-13/h2-5,9,14,17,22H,6-8H2,1H3,(H,20,21)/t9-,14?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056253
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 725n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056257
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056257
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056258
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056258
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056250
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056248
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056247
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 77 total )  |  Next  |  Last  >>
Jump to: