Found 24 hits with Last Name = 'venkatraman' and Initial = 'ms' 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 |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123054
(US8742134, (1))Show SMILES C[C@@](C1CCCC1)(C(=O)O[C@@H]1CC2CCC1[N+]2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C22H32NO2/c1-22(17-11-7-8-12-17,16-9-5-4-6-10-16)21(24)25-20-15-18-13-14-19(20)23(18,2)3/h4-6,9-10,17-20H,7-8,11-15H2,1-3H3/q+1/t18?,19?,20-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.160 | -55.3 | 0.230 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123056
(US8742134, (3) | US8742134, (8))Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.180 | -55.1 | 0.25 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123055
(US8742134, (2) | US8742134, (7))Show SMILES C[N+]1(C)C2CCC1[C@@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.180 | -55.1 | 0.25 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123057
(US8742134, (4) | US8742134, (5) | US8742134, (6))Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.220 | -54.6 | 0.300 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123057
(US8742134, (4) | US8742134, (5) | US8742134, (6))Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.5 | -49.9 | 2.10 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123057
(US8742134, (4) | US8742134, (5) | US8742134, (6))Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.10 | -49.0 | 2.90 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123055
(US8742134, (2) | US8742134, (7))Show SMILES C[N+]1(C)C2CCC1[C@@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 14 | -44.4 | 19 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM123056
(US8742134, (3) | US8742134, (8))Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 26 | -42.9 | 36 | n/a | n/a | n/a | n/a | n/a | 22 |
Theron Pharmaceuticals, Inc.
US Patent
| Assay Description Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ... |
US Patent US8742134 (2014)
BindingDB Entry DOI: 10.7270/Q20000SX |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190422
(2,2'-[{8-[(2-{4-[(2,4-dDioxo-1,3-thiazolidin-5-yl)...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)C[NH3+])SC(=O)C[NH3+] Show InChI InChI=1S/C25H36N4O6S3/c1-29(11-12-35-18-8-6-17(7-9-18)14-20-24(33)28-25(34)38-20)21(30)5-3-2-4-19(37-23(32)16-27)10-13-36-22(31)15-26/h6-9,19,33H,2-5,10-16,26-27H2,1H3,(H,28,34)/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190421
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190421
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190430
(4-({3-(acetylthio)-8-[(2-{4-[(2,4-dioxo-1,3-thiazo...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CCC([O-])=O)SC(C)=O Show InChI InChI=1S/C27H36N2O8S3/c1-18(30)39-21(13-16-38-25(34)12-11-24(32)33)5-3-4-6-23(31)29(2)14-15-37-20-9-7-19(8-10-20)17-22-26(35)28-27(36)40-22/h7-10,21,35H,3-6,11-17H2,1-2H3,(H,28,36)(H,32,33)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190427
(CHEMBL208601 | N-(2-{4-[(2,4-dioxo-1,3-thiazolidin...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC1CCSS1 Show InChI InChI=1S/C21H28N2O4S3/c1-23(19(24)5-3-2-4-17-10-13-28-30-17)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)29-18/h6-9,17,25H,2-5,10-14H2,1H3,(H,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190432
(CHEMBL211237 | [3-chloro-4-(3-{[5-(1,2-dithiolan-3...)Show SMILES CN(CCCOc1ccc(CC(O)=O)cc1Cl)C(=O)CCCCC1CCSS1 Show InChI InChI=1S/C20H28ClNO4S2/c1-22(19(23)6-3-2-5-16-9-12-27-28-16)10-4-11-26-18-8-7-15(13-17(18)21)14-20(24)25/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50049240
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190428
(CHEMBL379050 | N-(2-{4-[(2,4-dioxo-1,3-thiazolidin...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCS Show InChI InChI=1S/C21H30N2O4S3/c1-23(19(24)5-3-2-4-17(29)10-13-28)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)30-18/h6-9,17,25,28-29H,2-5,10-14H2,1H3,(H,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190425
(CHEMBL209364 | N-(2-{4-[(2,4-dioxa-1,3-thiazolidin...)Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(OCCNC(=O)CCCCC2CCSS2)cc1 Show InChI InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16,24H,1-4,9-13H2,(H,21,23)(H,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190424
(2-({3-(acetylthio)-8-[(2-{4-[(2,4-dioxo-1,3-thiazo...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)C[NH3+])SC(C)=O Show InChI InChI=1S/C25H35N3O6S3/c1-17(29)36-20(11-14-35-23(31)16-26)5-3-4-6-22(30)28(2)12-13-34-19-9-7-18(8-10-19)15-21-24(32)27-25(33)37-21/h7-10,20,32H,3-6,11-16,26H2,1-2H3,(H,27,33)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190426
(CHEMBL448790 | methyl [3-chloro-4-(3-{[5-(1,2-dith...)Show SMILES COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCCC2CCSS2)c(Cl)c1 Show InChI InChI=1S/C21H30ClNO4S2/c1-23(20(24)7-4-3-6-17-10-13-28-29-17)11-5-12-27-19-9-8-16(14-18(19)22)15-21(25)26-2/h8-9,14,17H,3-7,10-13,15H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190421
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190420
(CHEMBL212737 | S,S'-{8-[(2-{4-[(2,4-dioxo-1,3-thia...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(C)=O)SC(C)=O Show InChI InChI=1S/C25H34N2O6S3/c1-17(28)34-15-12-21(35-18(2)29)6-4-5-7-23(30)27(3)13-14-33-20-10-8-19(9-11-20)16-22-24(31)26-25(32)36-22/h8-11,21,31H,4-7,12-16H2,1-3H3,(H,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190419
(4-({8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)meth...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCSC(=O)CCC([O-])=O Show InChI InChI=1S/C25H34N2O7S3/c1-27(21(28)5-3-2-4-19(35)12-15-36-23(31)11-10-22(29)30)13-14-34-18-8-6-17(7-9-18)16-20-24(32)26-25(33)37-20/h6-9,19,32,35H,2-5,10-16H2,1H3,(H,26,33)(H,29,30)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50190423
(4,4'-[{8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)m...)Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CCC([O-])=O)SC(=O)CCC([O-])=O Show InChI InChI=1S/C29H38N2O10S3/c1-31(15-16-41-20-8-6-19(7-9-20)18-22-28(39)30-29(40)44-22)23(32)5-3-2-4-21(43-27(38)13-11-25(35)36)14-17-42-26(37)12-10-24(33)34/h6-9,21,39H,2-5,10-18H2,1H3,(H,30,40)(H,33,34)(H,35,36)/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Transactivation of PPARgamma in CV1 cells |
J Med Chem 49: 4072-84 (2006)
Article DOI: 10.1021/jm0510880 BindingDB Entry DOI: 10.7270/Q2PZ59M5 |
More data for this Ligand-Target Pair | |