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BDBM50218285 5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)-tetrahydrofuran-3-yl)thiophene-2-carboxamide::CHEMBL237705

SMILES: Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O

InChI Key: InChIKey=YGGDWBZARHRUFI-JKSUJKDBSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50218285   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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Article
PubMed
>1.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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PubMed
>1.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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>1.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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Article
PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50218285
PNG
(5-chloro-N-((3S,4R)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h1-10,15-16H,11-12H2,(H,23,27)(H,24,28)/t15-,16+/m0/s1
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Article
PubMed
>2.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human Plasmin


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair