Found 6 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50232945
(CHEMBL4099830)Show SMILES Fc1ccc(cc1)-c1c(\C=C\C2CC=CC(=O)O2)c(nc2ccccc12)C1CC1 |c:14| Show InChI InChI=1S/C25H20FNO2/c26-18-12-10-16(11-13-18)24-20-5-1-2-6-22(20)27-25(17-8-9-17)21(24)15-14-19-4-3-7-23(28)29-19/h1-3,5-7,10-15,17,19H,4,8-9H2/b15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50232946
(CHEMBL4061160)Show SMILES OC(=O)\C=C\C=C\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 Show InChI InChI=1S/C25H20FNO2/c26-19-15-13-17(14-16-19)24-20-7-5-6-9-22(20)27-25(18-11-12-18)21(24)8-3-1-2-4-10-23(28)29/h1-10,13-16,18H,11-12H2,(H,28,29)/b2-1+,8-3+,10-4+ | 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 | 5.12E+3 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM86704
(CAS_93957-54-1 | Fluvastatin | cid_446155)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50241107
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)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/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50371229
(Livalo | PITAVASTATIN CALCIUM | cid_24848419)Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a |
Xiamen University
Curated by ChEMBL
| Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method |
Bioorg Med Chem Lett 27: 1055-1061 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.058
BindingDB Entry DOI: 10.7270/Q2348NMW |
More data for this
Ligand-Target Pair | |
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