Found 34 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50132862
(4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139534
(2-[2-Methoxy-6-({3-trifluoromethyl-4-[4-(3-trifluo...)Show SMILES COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1ccc(cc1C(O)=O)[N+]([O-])=O Show InChI InChI=1S/C33H28F6N4O6/c1-48-29-7-2-4-20(30(29)49-28-11-9-24(43(46)47)18-25(28)31(44)45)19-40-22-8-10-27(26(17-22)33(37,38)39)42-14-12-41(13-15-42)23-6-3-5-21(16-23)32(34,35)36/h2-11,16-18,40H,12-15,19H2,1H3,(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139536
(1-[3-Fluoro-6-nitro-2-({3-trifluoromethyl-4-[4-(3-...)Show SMILES OC(=O)C1CCN(CC1)c1c(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c(F)ccc1[N+]([O-])=O Show InChI InChI=1S/C31H30F7N5O4/c32-25-5-7-27(43(46)47)28(42-10-8-19(9-11-42)29(44)45)23(25)18-39-21-4-6-26(24(17-21)31(36,37)38)41-14-12-40(13-15-41)22-3-1-2-20(16-22)30(33,34)35/h1-7,16-17,19,39H,8-15,18H2,(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139540
(5-Bromo-2-[3-fluoro-2-({3-trifluoromethyl-4-[4-(3-...)Show SMILES OC(=O)c1cc(Br)ccc1Oc1cccc(F)c1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F Show InChI InChI=1S/C32H25BrF7N3O3/c33-20-7-10-29(23(16-20)30(44)45)46-28-6-2-5-26(34)24(28)18-41-21-8-9-27(25(17-21)32(38,39)40)43-13-11-42(12-14-43)22-4-1-3-19(15-22)31(35,36)37/h1-10,15-17,41H,11-14,18H2,(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139562
(1-{2-Nitro-4-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O4/c25-23(26,27)16-2-1-3-17(12-16)31-8-10-33(11-9-31)19-14-20(32-6-4-15(5-7-32)22(35)36)21(34(37)38)13-18(19)24(28,29)30/h1-3,12-15H,4-11H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139532
(5-Chloro-2-[2-methoxy-6-({3-trifluoromethyl-4-[4-(...)Show SMILES COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1c(cc(Cl)cc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C33H27ClF6N4O6/c1-49-28-7-2-4-19(29(28)50-30-24(31(45)46)15-21(34)16-27(30)44(47)48)18-41-22-8-9-26(25(17-22)33(38,39)40)43-12-10-42(11-13-43)23-6-3-5-20(14-23)32(35,36)37/h2-9,14-17,41H,10-13,18H2,1H3,(H,45,46) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139548
(3-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)CCNc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C21H20F6N4O4/c22-20(23,24)13-2-1-3-14(10-13)29-6-8-30(9-7-29)17-12-16(28-5-4-19(32)33)15(21(25,26)27)11-18(17)31(34)35/h1-3,10-12,28H,4-9H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139546
(6-[2-Methoxy-6-({3-trifluoromethyl-4-[4-(3-trifluo...)Show SMILES COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1ccc(cn1)C(O)=O Show InChI InChI=1S/C32H28F6N4O4/c1-45-27-7-2-4-20(29(27)46-28-11-8-21(19-40-28)30(43)44)18-39-23-9-10-26(25(17-23)32(36,37)38)42-14-12-41(13-15-42)24-6-3-5-22(16-24)31(33,34)35/h2-11,16-17,19,39H,12-15,18H2,1H3,(H,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139542
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C24H24F6N4O4/c25-23(26,27)16-2-1-3-17(12-16)31-8-10-33(11-9-31)20-14-19(32-6-4-15(5-7-32)22(35)36)18(24(28,29)30)13-21(20)34(37)38/h1-3,12-15H,4-11H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139561
(1-[3-Fluoro-2-({3-trifluoromethyl-4-[4-(3-trifluor...)Show SMILES OC(=O)C1CCN(CC1)c1cccc(F)c1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F Show InChI InChI=1S/C31H31F7N4O2/c32-26-5-2-6-27(41-11-9-20(10-12-41)29(43)44)24(26)19-39-22-7-8-28(25(18-22)31(36,37)38)42-15-13-40(14-16-42)23-4-1-3-21(17-23)30(33,34)35/h1-8,17-18,20,39H,9-16,19H2,(H,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139541
(2-[4-Nitro-2-({3-trifluoromethyl-4-[4-(3-trifluoro...)Show SMILES OC(=O)c1ccccc1Oc1ccc(cc1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C32H26F6N4O5/c33-31(34,35)21-4-3-5-23(17-21)40-12-14-41(15-13-40)27-10-8-22(18-26(27)32(36,37)38)39-19-20-16-24(42(45)46)9-11-28(20)47-29-7-2-1-6-25(29)30(43)44/h1-11,16-18,39H,12-15,19H2,(H,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139564
(1-{4-Nitro-2-trifluoromethyl-5-[4-(4-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C24H24F6N4O4/c25-23(26,27)16-1-3-17(4-2-16)31-9-11-33(12-10-31)20-14-19(32-7-5-15(6-8-32)22(35)36)18(24(28,29)30)13-21(20)34(37)38/h1-4,13-15H,5-12H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139552
(1-[3-Fluoro-6-nitro-2-({3-trifluoromethyl-4-[4-(3-...)Show SMILES OC(=O)C1CCCN1c1c(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c(F)ccc1[N+]([O-])=O Show InChI InChI=1S/C30H28F7N5O4/c31-23-7-9-25(42(45)46)27(41-10-2-5-26(41)28(43)44)21(23)17-38-19-6-8-24(22(16-19)30(35,36)37)40-13-11-39(12-14-40)20-4-1-3-18(15-20)29(32,33)34/h1,3-4,6-9,15-16,26,38H,2,5,10-14,17H2,(H,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139556
(4-({2,4-Dinitro-5-[4-(3-trifluoromethyl-phenyl)-pi...)Show SMILES OC(=O)c1ccc(CNc2cc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H22F3N5O6/c26-25(27,28)18-2-1-3-19(12-18)30-8-10-31(11-9-30)22-13-20(21(32(36)37)14-23(22)33(38)39)29-15-16-4-6-17(7-5-16)24(34)35/h1-7,12-14,29H,8-11,15H2,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139537
(4-({4-Nitro-2-trifluoromethyl-5-[4-(3-trifluoromet...)Show SMILES OC(=O)c1ccc(CNc2cc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(cc2C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C26H22F6N4O4/c27-25(28,29)18-2-1-3-19(12-18)34-8-10-35(11-9-34)22-14-21(20(26(30,31)32)13-23(22)36(39)40)33-15-16-4-6-17(7-5-16)24(37)38/h1-7,12-14,33H,8-11,15H2,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139559
(1-[3-Fluoro-2-({3-trifluoromethyl-4-[4-(3-trifluor...)Show SMILES OC(=O)C1CCCN(C1)c1cccc(F)c1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F Show InChI InChI=1S/C31H31F7N4O2/c32-26-7-2-8-27(42-11-3-4-20(19-42)29(43)44)24(26)18-39-22-9-10-28(25(17-22)31(36,37)38)41-14-12-40(13-15-41)23-6-1-5-21(16-23)30(33,34)35/h1-2,5-10,16-17,20,39H,3-4,11-15,18-19H2,(H,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139549
(1-[3-Trifluoromethyl-2-({3-trifluoromethyl-4-[4-(3...)Show SMILES OC(=O)C1CCN(CC1)c1cccc(c1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H31F9N4O2/c33-30(34,35)21-3-1-4-23(17-21)43-13-15-45(16-14-43)28-8-7-22(18-26(28)32(39,40)41)42-19-24-25(31(36,37)38)5-2-6-27(24)44-11-9-20(10-12-44)29(46)47/h1-8,17-18,20,42H,9-16,19H2,(H,46,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139563
(4-({3-Trifluoromethyl-4-[4-(3-trifluoromethyl-phen...)Show SMILES OC(=O)c1ccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H23F6N3O2/c27-25(28,29)19-2-1-3-21(14-19)34-10-12-35(13-11-34)23-9-8-20(15-22(23)26(30,31)32)33-16-17-4-6-18(7-5-17)24(36)37/h1-9,14-15,33H,10-13,16H2,(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139545
(({2-Nitro-4-trifluoromethyl-5-[4-(3-trifluoromethy...)Show SMILES O[P+](O)([O-])CNc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C19H19F6N4O5P/c20-18(21,22)12-2-1-3-13(8-12)27-4-6-28(7-5-27)16-10-15(26-11-35(32,33)34)17(29(30)31)9-14(16)19(23,24)25/h1-3,8-10,26H,4-7,11H2,(H2,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139555
(4-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)c1ccc(Oc2cc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(cc2C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H19F6N3O5/c26-24(27,28)16-2-1-3-17(12-16)32-8-10-33(11-9-32)20-14-22(19(25(29,30)31)13-21(20)34(37)38)39-18-6-4-15(5-7-18)23(35)36/h1-7,12-14H,8-11H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139538
(4-({2-Nitro-5-[4-(3-trifluoromethyl-phenyl)-pipera...)Show SMILES OC(=O)c1ccc(CNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H23F3N4O4/c26-25(27,28)19-2-1-3-20(14-19)30-10-12-31(13-11-30)21-8-9-23(32(35)36)22(15-21)29-16-17-4-6-18(7-5-17)24(33)34/h1-9,14-15,29H,10-13,16H2,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139554
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCCN(C1)c1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C24H24F6N4O4/c25-23(26,27)16-4-1-5-17(11-16)31-7-9-32(10-8-31)20-13-19(33-6-2-3-15(14-33)22(35)36)18(24(28,29)30)12-21(20)34(37)38/h1,4-5,11-13,15H,2-3,6-10,14H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139543
(1-{4-Nitro-2-trifluoromethyl-5-[4-(5-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C23H23F6N5O4/c24-22(25,26)15-1-2-20(30-13-15)33-9-7-32(8-10-33)18-12-17(31-5-3-14(4-6-31)21(35)36)16(23(27,28)29)11-19(18)34(37)38/h1-2,11-14H,3-10H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139551
(4-({3-Nitro-6-[4-(3-trifluoromethyl-phenyl)-pipera...)Show SMILES OC(=O)c1ccc(CNc2nc(ccc2[N+]([O-])=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H22F3N5O4/c25-24(26,27)18-2-1-3-19(14-18)30-10-12-31(13-11-30)21-9-8-20(32(35)36)22(29-21)28-15-16-4-6-17(7-5-16)23(33)34/h1-9,14H,10-13,15H2,(H,28,29)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139533
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C25H25F6N5O5/c26-24(27,28)16-2-1-3-17(12-16)32-23(39)35-10-8-34(9-11-35)20-14-19(33-6-4-15(5-7-33)22(37)38)18(25(29,30)31)13-21(20)36(40)41/h1-3,12-15H,4-11H2,(H,32,39)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139550
(3-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)c1cccc(Oc2cc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(cc2C(F)(F)F)[N+]([O-])=O)c1 Show InChI InChI=1S/C25H19F6N3O5/c26-24(27,28)16-4-2-5-17(12-16)32-7-9-33(10-8-32)20-14-22(19(25(29,30)31)13-21(20)34(37)38)39-18-6-1-3-15(11-18)23(35)36/h1-6,11-14H,7-10H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139535
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C25H26F6N4O4/c26-24(27,28)18-3-1-2-16(12-18)15-32-8-10-34(11-9-32)21-14-20(33-6-4-17(5-7-33)23(36)37)19(25(29,30)31)13-22(21)35(38)39/h1-3,12-14,17H,4-11,15H2,(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139539
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)C(=O)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C25H24F6N4O5/c26-24(27,28)17-3-1-2-16(12-17)22(36)34-10-8-33(9-11-34)20-14-19(32-6-4-15(5-7-32)23(37)38)18(25(29,30)31)13-21(20)35(39)40/h1-3,12-15H,4-11H2,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139547
(4-({5-Nitro-6-[4-(3-trifluoromethyl-phenyl)-pipera...)Show SMILES OC(=O)c1ccc(CNc2ccc(c(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H22F3N5O4/c25-24(26,27)18-2-1-3-19(14-18)30-10-12-31(13-11-30)22-20(32(35)36)8-9-21(29-22)28-15-16-4-6-17(7-5-16)23(33)34/h1-9,14H,10-13,15H2,(H,28,29)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139553
(4-({4-Nitro-3-[4-(3-trifluoromethyl-phenyl)-pipera...)Show SMILES OC(=O)c1ccc(CNc2ccc(c(c2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H23F3N4O4/c26-25(27,28)19-2-1-3-21(14-19)30-10-12-31(13-11-30)23-15-20(8-9-22(23)32(35)36)29-16-17-4-6-18(7-5-17)24(33)34/h1-9,14-15,29H,10-13,16H2,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139558
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)Show SMILES OC(=O)C1CCCN1c1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C23H22F6N4O4/c24-22(25,26)14-3-1-4-15(11-14)30-7-9-31(10-8-30)19-13-18(32-6-2-5-17(32)21(34)35)16(23(27,28)29)12-20(19)33(36)37/h1,3-4,11-13,17H,2,5-10H2,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139544
(1-{5-[4-(2,6-Dinitro-3-trifluoromethyl-phenyl)-pip...)Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2c(ccc(c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)c(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C24H22F6N6O8/c25-23(26,27)14-1-2-16(34(39)40)21(20(14)36(43)44)33-9-7-32(8-10-33)18-12-17(31-5-3-13(4-6-31)22(37)38)15(24(28,29)30)11-19(18)35(41)42/h1-2,11-13H,3-10H2,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139560
(1-(5-{4-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycloh...)Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(CC1)c1cc(N2CCC(CC2)C(O)=O)c(cc1[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C29H41F3N4O6/c1-18(2)21-5-4-19(3)14-26(21)42-17-27(37)35-12-10-34(11-13-35)24-16-23(33-8-6-20(7-9-33)28(38)39)22(29(30,31)32)15-25(24)36(40)41/h15-16,18-21,26H,4-14,17H2,1-3H3,(H,38,39)/t19-,21+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50139557
(6-(4-Carboxy-benzylamino)-3-nitro-2-[4-(3-trifluor...)Show SMILES COC(=O)c1c(NCc2ccc(cc2)C(O)=O)ccc(c1N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C27H25F3N4O6/c1-40-26(37)23-21(31-16-17-5-7-18(8-6-17)25(35)36)9-10-22(34(38)39)24(23)33-13-11-32(12-14-33)20-4-2-3-19(15-20)27(28,29)30/h2-10,15,31H,11-14,16H2,1H3,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1) |
Bioorg Med Chem Lett 14: 761-5 (2004)
BindingDB Entry DOI: 10.7270/Q26T0M23 |
More data for this
Ligand-Target Pair | |
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