Found 16 hits with Last Name = 'jain' and Initial = 'u' 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)) | BDBM50149275
(2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1H-indo...)Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169448
(1-Benzyl-3-phenyl-5-(4-trifluoromethoxy-benzenesul...)Show SMILES OC(=O)c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H21F3N2O5S/c30-29(31,32)39-22-12-14-23(15-13-22)40(37,38)33-21-11-16-25-24(17-21)26(20-9-5-2-6-10-20)27(28(35)36)34(25)18-19-7-3-1-4-8-19/h1-17,33H,18H2,(H,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169451
(1-Biphenyl-4-ylmethyl-5-(4-tert-butyl-phenylamino)...)Show SMILES CC(C)(C)c1ccc(Nc2ccc3n(Cc4ccc(cc4)-c4ccccc4)c(C(O)=O)c(-c4ccccc4)c3c2)cc1 Show InChI InChI=1S/C38H34N2O2/c1-38(2,3)30-18-20-31(21-19-30)39-32-22-23-34-33(24-32)35(29-12-8-5-9-13-29)36(37(41)42)40(34)25-26-14-16-28(17-15-26)27-10-6-4-7-11-27/h4-24,39H,25H2,1-3H3,(H,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50149274
(2-[4-(3,4-Dichloro-phenylcarbamoyl)-benzylamino]-4...)Show SMILES OC(=O)c1ccc(cc1NCc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C21H15Cl2N3O5/c22-17-8-5-14(9-18(17)23)25-20(27)13-3-1-12(2-4-13)11-24-19-10-15(26(30)31)6-7-16(19)21(28)29/h1-10,24H,11H2,(H,25,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169446
(1-Benzyl-5-(biphenyl-4-sulfonylamino)-3-phenyl-1H-...)Show SMILES OC(=O)c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2n1Cc1ccccc1 Show InChI InChI=1S/C34H26N2O4S/c37-34(38)33-32(27-14-8-3-9-15-27)30-22-28(18-21-31(30)36(33)23-24-10-4-1-5-11-24)35-41(39,40)29-19-16-26(17-20-29)25-12-6-2-7-13-25/h1-22,35H,23H2,(H,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169450
(5-Benzenesulfonylamino-1-biphenyl-4-ylmethyl-3-phe...)Show SMILES OC(=O)c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H26N2O4S/c37-34(38)33-32(27-12-6-2-7-13-27)30-22-28(35-41(39,40)29-14-8-3-9-15-29)20-21-31(30)36(33)23-24-16-18-26(19-17-24)25-10-4-1-5-11-25/h1-22,35H,23H2,(H,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169447
(1-Benzyl-5-(4-tert-butyl-benzenesulfonylamino)-3-p...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(Cc3ccccc3)c(C(O)=O)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C32H30N2O4S/c1-32(2,3)24-14-17-26(18-15-24)39(37,38)33-25-16-19-28-27(20-25)29(23-12-8-5-9-13-23)30(31(35)36)34(28)21-22-10-6-4-7-11-22/h4-20,33H,21H2,1-3H3,(H,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50169449
(1-Benzyl-5-(biphenyl-4-sulfonylamino)-1H-indole-2-...)Show SMILES OC(=O)c1cc2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2n1Cc1ccccc1 Show InChI InChI=1S/C28H22N2O4S/c31-28(32)27-18-23-17-24(13-16-26(23)30(27)19-20-7-3-1-4-8-20)29-35(33,34)25-14-11-22(12-15-25)21-9-5-2-6-10-21/h1-18,29H,19H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay |
Bioorg Med Chem Lett 15: 3514-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.095 BindingDB Entry DOI: 10.7270/Q2KH0MVQ |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28927
((2R)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...)Show SMILES OC[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28926
((2S)-N-(5-chlorothiophen-2-yl)-5,5,5-trifluoro-1-h...)Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC(F)(F)F)CC(F)(F)F |r| Show InChI InChI=1S/C11H12ClF6NO3S2/c12-8-1-2-9(23-8)24(21,22)19-7(5-20)6(3-10(13,14)15)4-11(16,17)18/h1-2,6-7,19-20H,3-5H2/t7-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28925
((2S)-N-(5-chlorothiophen-2-yl)-3-ethyl-1-hydroxype...)Show InChI InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28924
((2S,3S)-N-(5-chlorothiophen-2-yl)-1-hydroxy-3-meth...)Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C10H16ClNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3/t7-,8+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 297 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28923
((2S)-N-(4-chlorophenyl)-3-ethyl-1-hydroxypentane-2...)Show SMILES CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 294 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28922
((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...)Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28920
((2S,3S)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...)Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1
(Homo sapiens (Human)) | BDBM28921
((2S,3S)-N-(4-bromophenyl)-1-hydroxy-3-methylpentan...)Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C12H18BrNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.21E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... |
J Med Chem 51: 7348-51 (2008)
Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 |
More data for this Ligand-Target Pair | |