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BDBM50218283 5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide::CHEMBL392297

SMILES: CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

InChI Key: InChIKey=YPEJQZNLCKSDCY-ZWKOTPCHSA-N

Data: 9 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 9 hits for monomerid = 50218283   
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))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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0.640n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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3.95E+3n/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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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6.68E+3n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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>1.08E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


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))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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>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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/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 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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/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
Plasminogen


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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>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