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BDBM50160916 2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-1,1,1,3,3,3-hexafluoro-propan-2-ol::CHEMBL182367

SMILES: OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=AJGJMWUDDSWHOG-UHFFFAOYSA-N

Data: 2 KI

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 = 50160916   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50160916
PNG
(2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H16ClF6NO2S/c26-18-6-7-21(35-14-15-4-2-1-3-5-15)20(11-18)19-8-9-36-22(19)16-10-17(13-33-12-16)23(34,24(27,28)29)25(30,31)32/h1-13,34H,14H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160916
PNG
(2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H16ClF6NO2S/c26-18-6-7-21(35-14-15-4-2-1-3-5-15)20(11-18)19-8-9-36-22(19)16-10-17(13-33-12-16)23(34,24(27,28)29)25(30,31)32/h1-13,34H,14H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair