Found 453 hits with Last Name = 'garcia' and Initial = 'r' 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 |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147275
(US8957093, 97)Show SMILES CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50306508
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147214
(US8957093, 23)Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147198
(US8957093, 6)Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147291
(US8957093, 113)Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H29FN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147210
(US8957093, 19)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147263
(US8957093, 83)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccs1 Show InChI InChI=1S/C30H26N2O3S/c1-19-20(2)32(18-21-9-11-22(12-10-21)25-7-3-4-8-26(25)30(34)35)28-14-13-23(16-27(19)28)29(33)31-17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,31,33)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147416
(US8957093, 254)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1Br |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50306515
(4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147252
(US8957093, 72)Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147414
(US8957093, 252)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1C |r| Show InChI InChI=1S/C34H32N2O3/c1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39/h5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147276
(US8957093, 98)Show SMILES CC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498884
(CHEMBL3735987)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C33H29ClN2O3/c1-20-22(3)36(19-23-11-13-24(14-12-23)28-9-4-5-10-29(28)33(38)39)31-16-15-26(18-30(20)31)32(37)35-21(2)25-7-6-8-27(34)17-25/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147281
(US8957093, 103)Show SMILES COc1cccc(CNC(=O)c2ccc3n(Cc4ccc(cc4)-c4ccccc4C(O)=O)c(C)c(C)c3c2)c1 Show InChI InChI=1S/C33H30N2O4/c1-21-22(2)35(20-23-11-13-25(14-12-23)28-9-4-5-10-29(28)33(37)38)31-16-15-26(18-30(21)31)32(36)34-19-24-7-6-8-27(17-24)39-3/h4-18H,19-20H2,1-3H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147284
(US8957093, 106)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C33H30N2O3/c1-21-8-10-24(11-9-21)19-34-32(36)27-16-17-31-30(18-27)22(2)23(3)35(31)20-25-12-14-26(15-13-25)28-6-4-5-7-29(28)33(37)38/h4-18H,19-20H2,1-3H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498893
(CHEMBL3735503)Show SMILES CC(C)c1cccc(CNC(=O)c2ccc3n(Cc4ccc(cc4)-c4ccccc4C(O)=O)c(C)c(C)c3c2)c1 Show InChI InChI=1S/C35H34N2O3/c1-22(2)28-9-7-8-26(18-28)20-36-34(38)29-16-17-33-32(19-29)23(3)24(4)37(33)21-25-12-14-27(15-13-25)30-10-5-6-11-31(30)35(39)40/h5-19,22H,20-21H2,1-4H3,(H,36,38)(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498895
(CHEMBL3735906)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C37H38N2O3/c1-23-25(3)39(22-26-14-16-27(17-15-26)31-12-7-8-13-32(31)36(41)42)34-19-18-29(21-33(23)34)35(40)38-24(2)28-10-9-11-30(20-28)37(4,5)6/h7-21,24H,22H2,1-6H3,(H,38,40)(H,41,42)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498890
(CHEMBL3735924 | US10744117, Compound IB-2)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H38N2O3/c1-23-25(3)39(22-26-11-13-28(14-12-26)31-9-7-8-10-32(31)36(41)42)34-20-17-29(21-33(23)34)35(40)38-24(2)27-15-18-30(19-16-27)37(4,5)6/h7-21,24H,22H2,1-6H3,(H,38,40)(H,41,42)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147283
(US8957093, 105)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(C)c1 Show InChI InChI=1S/C33H30N2O3/c1-21-7-6-8-25(17-21)19-34-32(36)27-15-16-31-30(18-27)22(2)23(3)35(31)20-24-11-13-26(14-12-24)28-9-4-5-10-29(28)33(37)38/h4-18H,19-20H2,1-3H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147415
(US8957093, 253)Show SMILES CCOc1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C35H34N2O4/c1-5-41-29-17-14-26(15-18-29)23(3)36-34(38)28-16-19-33-32(20-28)22(2)24(4)37(33)21-25-10-12-27(13-11-25)30-8-6-7-9-31(30)35(39)40/h6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147417
(US8957093, 255)Show SMILES CCc1ccccc1[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C35H34N2O3/c1-5-26-10-6-7-11-29(26)23(3)36-34(38)28-18-19-33-32(20-28)22(2)24(4)37(33)21-25-14-16-27(17-15-25)30-12-8-9-13-31(30)35(39)40/h6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147285
(US8957093, 107)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1C Show InChI InChI=1S/C33H30N2O3/c1-21-8-4-5-9-27(21)19-34-32(36)26-16-17-31-30(18-26)22(2)23(3)35(31)20-24-12-14-25(15-13-24)28-10-6-7-11-29(28)33(37)38/h4-18H,19-20H2,1-3H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147443
(US8957093, 297)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C36H34N2O3/c1-22-24(3)38(21-25-11-13-27(14-12-25)31-9-4-5-10-32(31)36(40)41)34-18-17-30(20-33(22)34)35(39)37-23(2)28-7-6-8-29(19-28)26-15-16-26/h4-14,17-20,23,26H,15-16,21H2,1-3H3,(H,37,39)(H,40,41)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50559829
(CHEMBL4784510)Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1 |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00079
BindingDB Entry DOI: 10.7270/Q2377DRF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498882
(CHEMBL3736463)Show SMILES CC(C)c1cccc(c1)[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)C1CC1 |r| Show InChI InChI=1S/C38H38N2O3/c1-23(2)29-8-7-9-30(20-29)36(28-16-17-28)39-37(41)31-18-19-35-34(21-31)24(3)25(4)40(35)22-26-12-14-27(15-13-26)32-10-5-6-11-33(32)38(42)43/h5-15,18-21,23,28,36H,16-17,22H2,1-4H3,(H,39,41)(H,42,43)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147361
(US8957093, 198)Show SMILES CC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)C |r| Show InChI InChI=1S/C37H38N2O3/c1-6-34(29-11-9-10-28(20-29)23(2)3)38-36(40)30-18-19-35-33(21-30)24(4)25(5)39(35)22-26-14-16-27(17-15-26)31-12-7-8-13-32(31)37(41)42/h7-21,23,34H,6,22H2,1-5H3,(H,38,40)(H,41,42)/t34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50466993
(CHEMBL4289691)Show SMILES Nc1cc(c(s1)C(=O)c1ccccc1Cl)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H10Cl3NOS/c18-10-5-9(6-11(19)7-10)13-8-15(21)23-17(13)16(22)12-3-1-2-4-14(12)20/h1-8H,21H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1... |
Bioorg Med Chem Lett 28: 3210-3215 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50550528
(CHEMBL4756148)Show SMILES Clc1ccc(CCN2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SMYD2 (unknown origin) |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BG2SKF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498889
(CHEMBL3735470)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C34H32N2O3/c1-21-9-13-26(14-10-21)23(3)35-33(37)28-17-18-32-31(19-28)22(2)24(4)36(32)20-25-11-15-27(16-12-25)29-7-5-6-8-30(29)34(38)39/h5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498885
(CHEMBL3735674)Show SMILES CC(C)c1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C36H36N2O3/c1-22(2)27-14-16-28(17-15-27)24(4)37-35(39)30-18-19-34-33(20-30)23(3)25(5)38(34)21-26-10-12-29(13-11-26)31-8-6-7-9-32(31)36(40)41/h6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460731
(CHEMBL4225808)Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)17-13-11-16(12-14-17)15-22(31)29-26-30-23(18-7-3-5-9-20(18)27)25(35-26)24(32)19-8-4-6-10-21(19)28/h3-14H,2,15H2,1H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORgamma LBD (265 to 518 residues) expressed in Escherichia coli BL21(DE3) at af... |
Bioorg Med Chem Lett 28: 1178-1181 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.001
BindingDB Entry DOI: 10.7270/Q26T0Q9G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147204
(US8957093, 12)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C32H27BrN2O3/c1-20-21(2)35(19-23-7-11-24(12-8-23)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-18-22-9-14-26(33)15-10-22/h3-17H,18-19H2,1-2H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50466987
(CHEMBL4292343)Show SMILES CC(C)Oc1cc(Br)cc(c1)-c1ccsc1C(=O)c1ccccc1Cl Show InChI InChI=1S/C20H16BrClO2S/c1-12(2)24-15-10-13(9-14(21)11-15)16-7-8-25-20(16)19(23)17-5-3-4-6-18(17)22/h3-12H,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1... |
Bioorg Med Chem Lett 28: 3210-3215 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB |
More data for this
Ligand-Target Pair | |
2-acylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM152809
(US8993568, 5)Show SMILES CS(=O)(=O)N[C@@H](c1ccc(CN2CCOC(C2)c2ccccc2Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H22ClF3N2O3S/c1-30(27,28)25-19(20(22,23)24)15-8-6-14(7-9-15)12-26-10-11-29-18(13-26)16-4-2-3-5-17(16)21/h2-9,18-19,25H,10-13H2,1H3/t18?,19-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | 4 |
Eli Lilly and Company
US Patent
| Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce... |
US Patent US8993568 (2015)
BindingDB Entry DOI: 10.7270/Q2WM1C4M |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50550527
(CHEMBL4754902)Show SMILES O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1 | PDB
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| PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SMYD2 (unknown origin) |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BG2SKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498886
(CHEMBL3736075)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)(C)O |r| Show InChI InChI=1S/C36H36N2O4/c1-22-24(3)38(21-25-13-15-26(16-14-25)30-11-6-7-12-31(30)35(40)41)33-18-17-28(20-32(22)33)34(39)37-23(2)27-9-8-10-29(19-27)36(4,5)42/h6-20,23,42H,21H2,1-5H3,(H,37,39)(H,40,41)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498887
(CHEMBL3736263)Show SMILES CC(C)c1cccc(c1)[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)C(F)(F)F |r| Show InChI InChI=1S/C36H33F3N2O3/c1-21(2)26-8-7-9-27(18-26)33(36(37,38)39)40-34(42)28-16-17-32-31(19-28)22(3)23(4)41(32)20-24-12-14-25(15-13-24)29-10-5-6-11-30(29)35(43)44/h5-19,21,33H,20H2,1-4H3,(H,40,42)(H,43,44)/t33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50597256
(CHEMBL5191583)Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(on2)-c2ccc(Cl)cc2)c(F)c1 |r| | PDB
NCI pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00079
BindingDB Entry DOI: 10.7270/Q2377DRF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147288
(US8957093, 110)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C32H27N3O5/c1-20-21(2)34(19-22-10-12-24(13-11-22)27-8-3-4-9-28(27)32(37)38)30-15-14-25(17-29(20)30)31(36)33-18-23-6-5-7-26(16-23)35(39)40/h3-17H,18-19H2,1-2H3,(H,33,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147290
(US8957093, 112)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H29FN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147297
(US8957093, 119)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C32H27N3O5/c1-20-21(2)34(19-22-11-13-23(14-12-22)26-8-4-5-9-27(26)32(37)38)30-16-15-24(17-28(20)30)31(36)33-18-25-7-3-6-10-29(25)35(39)40/h3-17H,18-19H2,1-2H3,(H,33,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147255
(US8957093, 75)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C38H32N2O3/c1-25-26(2)40(24-27-17-19-28(20-18-27)32-15-9-10-16-33(32)38(42)43)35-22-21-31(23-34(25)35)37(41)39-36(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-23,36H,24H2,1-2H3,(H,39,41)(H,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50466992
(CHEMBL4289114)Show SMILES FC(F)(F)c1cc(Br)cc(c1)-c1ncsc1C(=O)c1ccccc1Cl Show InChI InChI=1S/C17H8BrClF3NOS/c18-11-6-9(5-10(7-11)17(20,21)22)14-16(25-8-23-14)15(24)12-3-1-2-4-13(12)19/h1-8H | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1... |
Bioorg Med Chem Lett 28: 3210-3215 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147193
(US8957093, 1)Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50597244
(CHEMBL5190385)Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(o2)-c2ccc(Cl)cc2)c(F)c1 |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00079
BindingDB Entry DOI: 10.7270/Q2377DRF |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50550519
(CHEMBL4755178)Show SMILES O=C(NCCCN1CCCC1)c1cc(cc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1)C#N | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SMYD2 (unknown origin) |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BG2SKF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50498883
(CHEMBL3736229)Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C36H36N2O3/c1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-34-33(20-30)23(3)25(5)38(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(40)41/h6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50550517
(CHEMBL4792378)Show SMILES Cc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SMYD2 (unknown origin) |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BG2SKF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147269
(US8957093, 89)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC1CCC1 Show InChI InChI=1S/C29H28N2O3/c1-18-19(2)31(27-15-14-22(16-26(18)27)28(32)30-23-6-5-7-23)17-20-10-12-21(13-11-20)24-8-3-4-9-25(24)29(33)34/h3-4,8-16,23H,5-7,17H2,1-2H3,(H,30,32)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM147272
(US8957093, 94)Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1N Show InChI InChI=1S/C32H29N3O3/c1-20-21(2)35(19-22-11-13-23(14-12-22)26-8-4-5-9-27(26)32(37)38)30-16-15-24(17-28(20)30)31(36)34-18-25-7-3-6-10-29(25)33/h3-17H,18-19,33H2,1-2H3,(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe |
ACS Med Chem Lett 6: 998-1003 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ |
More data for this
Ligand-Target Pair | |
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