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4 similar compounds to monomer 50089758

Compile data set for download or QSAR
Wt: 481.0
BDBM50089740
Wt: 448.5
BDBM50089753
Wt: 436.5
BDBM50089741
Wt: 472.6
BDBM50089742

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50089740,50089753,50089741,50089742   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089740
PNG
(CHEMBL3577423)
Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089753
PNG
(CHEMBL3577437)
Show SMILES N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1
Show InChI InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1
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PubMed
n/an/a 110n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089742
PNG
(CHEMBL3577426)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1
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PubMed
n/an/a 15n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089741
PNG
(CHEMBL3577424)
Show SMILES NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O
Show InChI InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1
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PubMed
n/an/a 39n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair