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BDBM50218444 4-[5,7,7,10,10-pentamethyl-2-(pyrrolidine-1-sulfonyl)-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid::CHEMBL397512

SMILES: CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=RQYSBFJCHLNCGW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218444   
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))
BDBM50218444
PNG
(4-[5,7,7,10,10-pentamethyl-2-(pyrrolidine-1-sulfon...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)N1CCCC1 |t:9|
Show InChI InChI=1S/C33H37N3O4S/c1-32(2)14-15-33(3,4)26-20-29-24(19-25(26)32)30(21-8-10-22(11-9-21)31(37)38)34-27-18-23(12-13-28(27)35(29)5)41(39,40)36-16-6-7-17-36/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218444
PNG
(4-[5,7,7,10,10-pentamethyl-2-(pyrrolidine-1-sulfon...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)N1CCCC1 |t:9|
Show InChI InChI=1S/C33H37N3O4S/c1-32(2)14-15-33(3,4)26-20-29-24(19-25(26)32)30(21-8-10-22(11-9-21)31(37)38)34-27-18-23(12-13-28(27)35(29)5)41(39,40)36-16-6-7-17-36/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair