Found 682 hits with Last Name = 'lee' and Initial = 'ik' 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 |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540335
(CHEMBL4635010)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C36H43F2N5O4/c1-41-16-14-30(15-17-41)43(22-26-2-6-28(37)7-3-26)36(45)39-21-25-4-9-32(10-5-25)46-24-31(44)23-42-18-12-27(13-19-42)35-33-11-8-29(38)20-34(33)47-40-35/h2-11,20,27,30-31,44H,12-19,21-24H2,1H3,(H,39,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540327
(CHEMBL4644559)Show SMILES Cl.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-18(2)17-30-23-9-5-19(6-10-23)15-27-24(29)28(22-11-13-26-14-12-22)16-20-3-7-21(25)8-4-20/h3-10,18,22,26H,11-17H2,1-2H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540334
(CHEMBL4647697)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCN(CC2)c2nsc3ccccc23)cc1 Show InChI InChI=1S/C35H43FN6O3S/c1-39-16-14-29(15-17-39)42(23-27-6-10-28(36)11-7-27)35(44)37-22-26-8-12-31(13-9-26)45-25-30(43)24-40-18-20-41(21-19-40)34-32-4-2-3-5-33(32)46-38-34/h2-13,29-30,43H,14-25H2,1H3,(H,37,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50330326
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonbuk National University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Influenza A virus H1N1 neuraminidase |
Bioorg Med Chem Lett 25: 3256-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540333
(CHEMBL4638548)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C33H48FN5O5/c1-33(2,3)44-32(42)38-19-17-37(18-20-38)23-29(40)24-43-30-11-7-25(8-12-30)21-35-31(41)39(28-13-15-36(4)16-14-28)22-26-5-9-27(34)10-6-26/h5-12,28-29,40H,13-24H2,1-4H3,(H,35,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50330326
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonbuk National University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Influenza A virus H5N1 neuraminidase |
Bioorg Med Chem Lett 25: 3256-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuraminidase
(Influenza A virus) | BDBM50330326
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonbuk National University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Influenza A virus H3N2 neuraminidase |
Bioorg Med Chem Lett 25: 3256-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50526756
(CHEMBL4591977)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-15(6-4-13)24(11-17-9-14(22)12-29-17)21(28)18-8-7-16(25)10-19(18)26/h3-10,12,25-26H,11H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
(Homo sapiens (Human)) | BDBM50526770
(CHEMBL4519504)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530063
(CHEMBL4436391)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530063
(CHEMBL4436391)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50526756
(CHEMBL4591977)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-15(6-4-13)24(11-17-9-14(22)12-29-17)21(28)18-8-7-16(25)10-19(18)26/h3-10,12,25-26H,11H2,1-2H3 | PDB
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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50526780
(CHEMBL4551410)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540331
(CHEMBL4638345)Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC2)C(=O)CC[C@H](N)C(O)=O)cc1 |r| Show InChI InChI=1S/C29H39FN4O5/c1-20(2)19-39-25-9-5-21(6-10-25)17-32-29(38)34(18-22-3-7-23(30)8-4-22)24-13-15-33(16-14-24)27(35)12-11-26(31)28(36)37/h3-10,20,24,26H,11-19,31H2,1-2H3,(H,32,38)(H,36,37)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526756
(CHEMBL4591977)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-15(6-4-13)24(11-17-9-14(22)12-29-17)21(28)18-8-7-16(25)10-19(18)26/h3-10,12,25-26H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50526757
(CHEMBL4575355)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
KEGG
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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50526770
(CHEMBL4519504)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50555952
(CHEMBL4741828)Show SMILES Cl.CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |c:6| | PDB
MMDB
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 |
TBA
| Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50526757
(CHEMBL4575355)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | 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 |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526770
(CHEMBL4519504)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530064
(CHEMBL4437929)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30- | PDB
MMDB
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 |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530064
(CHEMBL4437929)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30- | PDB
MMDB
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 |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530064
(CHEMBL4437929)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50526780
(CHEMBL4551410)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530051
(CHEMBL4580171)Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530064
(CHEMBL4437929)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530061
(CHEMBL4579002)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1 Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530051
(CHEMBL4580171)Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530061
(CHEMBL4579002)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1 Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM485047
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23X8B8M |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530060
(CHEMBL4451327)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526772
(CHEMBL4461160)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C20H18BrN3O4S/c1-23(2)19(27)12-3-5-13(6-4-12)24(11-18-22-10-17(21)29-18)20(28)15-8-7-14(25)9-16(15)26/h3-10,25-26H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50526772
(CHEMBL4461160)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C20H18BrN3O4S/c1-23(2)19(27)12-3-5-13(6-4-12)24(11-18-22-10-17(21)29-18)20(28)15-8-7-14(25)9-16(15)26/h3-10,25-26H,11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530060
(CHEMBL4451327)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a... |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50193253
(CHEMBL3961676)Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-; | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay |
Eur J Med Chem 120: 338-52 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50193253
(CHEMBL3961676)Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-; | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay |
Eur J Med Chem 120: 338-52 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526784
(CHEMBL4558837)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C22H22N2O5/c1-14-4-10-18(29-14)13-24(22(28)19-11-9-17(25)12-20(19)26)16-7-5-15(6-8-16)21(27)23(2)3/h4-12,25-26H,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM485060
(US10934303, Cmpd No. 18k | US10934303, Example 30 ...)Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530055
(CHEMBL4541589)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1 Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530055
(CHEMBL4541589)Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1 Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50555956
(CHEMBL4746616)Show SMILES Cl.CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccc(F)cc1F)\c1ccc(O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50236530
(CHEMBL3727577)Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM139370
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526759
(CHEMBL4452536)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cnc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C20H18BrN3O4S/c1-23(2)18(27)12-3-5-13(6-4-12)24(11-15-10-22-20(21)29-15)19(28)16-8-7-14(25)9-17(16)26/h3-10,25-26H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50526769
(CHEMBL4587341)Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Cl)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19ClN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 62: 8461-8479 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00565
BindingDB Entry DOI: 10.7270/Q2DB859X |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530051
(CHEMBL4580171)Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530051
(CHEMBL4580171)Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50550304
(CHEMBL4744529)Show SMILES Cl.Cl.CN1CCC[C@@H]1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23X8B8M |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530066
(CHEMBL4472718)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C29H34N2O/c1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31/h3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3/b29-28- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50530066
(CHEMBL4472718)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1 Show InChI InChI=1S/C29H34N2O/c1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31/h3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3/b29-28- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay |
J Med Chem 62: 1837-1858 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ |
More data for this
Ligand-Target Pair | |
Search and Browse
