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BDBM50146326 (E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-indazol-5-yl]-but-2-enoic acid::CHEMBL91979

SMILES: CCOc1c(cc(cc1-c1[nH]nc2ccc(cc12)C(C)=CC(O)=O)C(C)C)C(C)C

InChI Key: InChIKey=LWXJNLCQFQPZKN-MHWRWJLKSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50146326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50146326
PNG
((E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-inda...)
Show SMILES CCOc1c(cc(cc1-c1[nH]nc2ccc(cc12)C(C)=CC(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H30N2O3/c1-7-30-25-19(15(4)5)12-18(14(2)3)13-21(25)24-20-11-17(16(6)10-23(28)29)8-9-22(20)26-27-24/h8-15H,7H2,1-6H3,(H,26,27)(H,28,29)/b16-10+
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PC cid
PC sid
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Article
PubMed
69n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity against RXR-alpha expressed in CV-1 cells


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50146326
PNG
((E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-inda...)
Show SMILES CCOc1c(cc(cc1-c1[nH]nc2ccc(cc12)C(C)=CC(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H30N2O3/c1-7-30-25-19(15(4)5)12-18(14(2)3)13-21(25)24-20-11-17(16(6)10-23(28)29)8-9-22(20)26-27-24/h8-15H,7H2,1-6H3,(H,26,27)(H,28,29)/b16-10+
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PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ATRA from Retinoic acid receptor gamma in CV-1 cells


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50146326
PNG
((E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-inda...)
Show SMILES CCOc1c(cc(cc1-c1[nH]nc2ccc(cc12)C(C)=CC(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H30N2O3/c1-7-30-25-19(15(4)5)12-18(14(2)3)13-21(25)24-20-11-17(16(6)10-23(28)29)8-9-22(20)26-27-24/h8-15H,7H2,1-6H3,(H,26,27)(H,28,29)/b16-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 235n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for agonistic activity in CV-1 cells expressing RXR-alpha


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair