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SMILES: OC(=O)C1CCOc2cc(Oc3ccc(cc3)C(=O)NC3CC3c3ccc(Cl)cc3)c(cc12)C#N

InChI Key: InChIKey=SISHCYRTGJOAFX-UHFFFAOYSA-N

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 = 230608   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM230608
PNG
(7-(4-((2-(4-Chlorophenyl)cyclopropyl)carbamoyl)phe...)
Show SMILES OC(=O)C1CCOc2cc(Oc3ccc(cc3)C(=O)NC3CC3c3ccc(Cl)cc3)c(cc12)C#N
Show InChI InChI=1S/C27H21ClN2O5/c28-18-5-1-15(2-6-18)21-12-23(21)30-26(31)16-3-7-19(8-4-16)35-24-13-25-22(11-17(24)14-29)20(27(32)33)9-10-34-25/h1-8,11,13,20-21,23H,9-10,12H2,(H,30,31)(H,32,33)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12.1n/an/a7.425



Array BioPharma Inc.

US Patent


Assay Description
The coding sequence of human DP2 was introduced into the human Leukemic cell line K562 by electroporation and stable clones expressing DP2 were obtai...


US Patent US9556139 (2017)


BindingDB Entry DOI: 10.7270/Q2S75J9Q
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM230608
PNG
(7-(4-((2-(4-Chlorophenyl)cyclopropyl)carbamoyl)phe...)
Show SMILES OC(=O)C1CCOc2cc(Oc3ccc(cc3)C(=O)NC3CC3c3ccc(Cl)cc3)c(cc12)C#N
Show InChI InChI=1S/C27H21ClN2O5/c28-18-5-1-15(2-6-18)21-12-23(21)30-26(31)16-3-7-19(8-4-16)35-24-13-25-22(11-17(24)14-29)20(27(32)33)9-10-34-25/h1-8,11,13,20-21,23H,9-10,12H2,(H,30,31)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14.8n/an/a7.425



Array BioPharma Inc.

US Patent


Assay Description
The coding sequence of human DP2 was introduced into the human Leukemic cell line K562 by electroporation and stable clones expressing DP2 were obtai...


US Patent US9556139 (2017)


BindingDB Entry DOI: 10.7270/Q2S75J9Q
More data for this
Ligand-Target Pair