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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase M' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Carboxypeptidase M


(Homo sapiens)
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
PDB
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135940
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-...)
Show SMILES CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135937
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-methyl-1H-imidazol-4...)
Show SMILES Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50100009
PNG
(2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid | 2-(...)
Show SMILES OC(=O)C(Cc1ccccc1)c1cnc[nH]1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135938
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazo...)
Show SMILES CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens)
BDBM50135935
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1
Show InChI InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


Citation and Details
More data for this
Ligand-Target Pair