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BDBM50159325 3-Chloro-4-{(4S,5R)-5-[2-chloro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-4,5-dihydro-1H-imidazol-4-yl}-phenol::CHEMBL192756

SMILES: Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1

InChI Key: InChIKey=JOPMKALSBFBJLF-LEWJYISDSA-N

Data: 2 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 2 hits for monomerid = 50159325   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50159325
PNG
(3-Chloro-4-{(4S,5R)-5-[2-chloro-4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1 |c:6|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-11-14(27)3-5-16(18)20-21(25-13-24-20)17-6-4-15(12-19(17)23)28-10-9-26-7-1-2-8-26/h3-6,11-13,20-21,27H,1-2,7-10H2,(H,24,25)/t20-,21+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.82E+3n/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Effective concentration against estrogen receptor alpha of MCF-7-2a cells


J Med Chem 48: 466-74 (2005)


Article DOI: 10.1021/jm040855c
BindingDB Entry DOI: 10.7270/Q20864T2
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50159325
PNG
(3-Chloro-4-{(4S,5R)-5-[2-chloro-4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1 |c:6|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-11-14(27)3-5-16(18)20-21(25-13-24-20)17-6-4-15(12-19(17)23)28-10-9-26-7-1-2-8-26/h3-6,11-13,20-21,27H,1-2,7-10H2,(H,24,25)/t20-,21+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 470n/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Effective concentration against estrogen receptor beta of MCF-7-2a cells


J Med Chem 48: 466-74 (2005)


Article DOI: 10.1021/jm040855c
BindingDB Entry DOI: 10.7270/Q20864T2
More data for this
Ligand-Target Pair