BindingDB logo
myBDB logout

13 similar compounds to monomer 50242788

Compile data set for download or QSAR
Wt: 580.8
BDBM50242787
Wt: 630.4
BDBM50242790
Wt: 630.4
BDBM50242791
Wt: 630.4
BDBM50242799
Wt: 644.4
BDBM50242800
Wt: 672.5
BDBM50242801
Wt: 700.5
BDBM50242802
Wt: 670.5
BDBM50242803
Wt: 720.5
BDBM50242804
Wt: 804.5
BDBM50242805
Wt: 614.4
BDBM50242806
Wt: 628.4
BDBM50242807
Wt: 614.4
BDBM50242808

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50242787,50242790,50242791,50242799,50242800,50242801,50242802,50242803,50242804,50242805,50242806,50242807,50242808   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242808
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(3-(trifluor...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H15F9N2O5S/c25-22(26,27)14-2-1-3-19(11-14)41(39,40)34-17-4-6-18(7-5-17)35(20(36)21(37)38)12-13-8-15(23(28,29)30)10-16(9-13)24(31,32)33/h1-11,34H,12H2,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242807
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-methyl-4-...)
Show SMILES CN(c1ccc(cc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H17F9N2O5S/c1-35(42(40,41)20-8-2-15(3-9-20)23(26,27)28)18-4-6-19(7-5-18)36(21(37)22(38)39)13-14-10-16(24(29,30)31)12-17(11-14)25(32,33)34/h2-12H,13H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242806
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(4-(trifluor...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H15F9N2O5S/c25-22(26,27)14-1-7-19(8-2-14)41(39,40)34-17-3-5-18(6-4-17)35(20(36)21(37)38)12-13-9-15(23(28,29)30)11-16(10-13)24(31,32)33/h1-11,34H,12H2,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242805
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-(4-(trifl...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C32H20F12N2O7S/c33-29(34,35)20-13-19(14-21(15-20)30(36,37)38)16-45(27(47)28(48)49)22-3-5-23(6-4-22)46(17-18-1-7-24(8-2-18)52-31(39,40)41)54(50,51)26-11-9-25(10-12-26)53-32(42,43)44/h1-15H,16-17H2,(H,48,49)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242804
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-benzyl-4-...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C31H21F9N2O6S/c32-29(33,34)21-14-20(15-22(16-21)30(35,36)37)17-41(27(43)28(44)45)23-6-8-24(9-7-23)42(18-19-4-2-1-3-5-19)49(46,47)26-12-10-25(11-13-26)48-31(38,39)40/h1-16H,17-18H2,(H,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242803
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-allyl-4-(...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)N(CC=C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H19F9N2O6S/c1-2-11-38(45(42,43)22-9-7-21(8-10-22)44-27(34,35)36)20-5-3-19(4-6-20)37(23(39)24(40)41)15-16-12-17(25(28,29)30)14-18(13-16)26(31,32)33/h2-10,12-14H,1,11,15H2,(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242787
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(4-chlorophe...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H15ClF6N2O5S/c24-16-1-7-19(8-2-16)38(36,37)31-17-3-5-18(6-4-17)32(20(33)21(34)35)12-13-9-14(22(25,26)27)11-15(10-13)23(28,29)30/h1-11,31H,12H2,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242801
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-propyl-4-...)
Show SMILES CCCN(c1ccc(cc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(O)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H21F9N2O6S/c1-2-11-38(45(42,43)22-9-7-21(8-10-22)44-27(34,35)36)20-5-3-19(4-6-20)37(23(39)24(40)41)15-16-12-17(25(28,29)30)14-18(13-16)26(31,32)33/h3-10,12-14H,2,11,15H2,1H3,(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242800
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-methyl-4-...)
Show SMILES CN(c1ccc(cc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(O)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H17F9N2O6S/c1-35(43(40,41)20-8-6-19(7-9-20)42-25(32,33)34)17-2-4-18(5-3-17)36(21(37)22(38)39)13-14-10-15(23(26,27)28)12-16(11-14)24(29,30)31/h2-12H,13H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242799
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(2-(trifluor...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C24H15F9N2O6S/c25-22(26,27)14-9-13(10-15(11-14)23(28,29)30)12-35(20(36)21(37)38)17-7-5-16(6-8-17)34-42(39,40)19-4-2-1-3-18(19)41-24(31,32)33/h1-11,34H,12H2,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242791
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(3-(trifluor...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H15F9N2O6S/c25-22(26,27)14-8-13(9-15(10-14)23(28,29)30)12-35(20(36)21(37)38)17-6-4-16(5-7-17)34-42(39,40)19-3-1-2-18(11-19)41-24(31,32)33/h1-11,34H,12H2,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.54E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242790
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(4-(trifluor...)
Show SMILES OC(=O)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H15F9N2O6S/c25-22(26,27)14-9-13(10-15(11-14)23(28,29)30)12-35(20(36)21(37)38)17-3-1-16(2-4-17)34-42(39,40)19-7-5-18(6-8-19)41-24(31,32)33/h1-11,34H,12H2,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50242802
PNG
(2-((3,5-bis(trifluoromethyl)benzyl)(4-(N-pentyl-4-...)
Show SMILES CCCCCN(c1ccc(cc1)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(O)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H25F9N2O6S/c1-2-3-4-13-40(47(44,45)24-11-9-23(10-12-24)46-29(36,37)38)22-7-5-21(6-8-22)39(25(41)26(42)43)17-18-14-19(27(30,31)32)16-20(15-18)28(33,34)35/h5-12,14-16H,2-4,13,17H2,1H3,(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PAI1 by chromogenic assay


Eur J Med Chem 43: 880-4 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.011
BindingDB Entry DOI: 10.7270/Q25Q4VWX
More data for this
Ligand-Target Pair