BindingDB logo
myBDB logout

null

SMILES: Cn1cnc2cc(cc(Cl)c12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O

InChI Key: InChIKey=CDYZJADXQRRCAY-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 = 50095294   
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 E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50095294
PNG
(CHEMBL3589084 | US9278953, 7)
Show SMILES Cn1cnc2cc(cc(Cl)c12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1S/C17H16Cl2N4O/c1-23(2)17-12-6-10(24-3)4-5-11(12)16(21-22-17)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor by MicroBeta plate-based scintillation counting/SPA binding assay


ACS Med Chem Lett 6: 626-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00188
BindingDB Entry DOI: 10.7270/Q2GX4D9S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50095294
PNG
(CHEMBL3589084 | US9278953, 7)
Show SMILES Cn1cnc2cc(cc(Cl)c12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1S/C17H16Cl2N4O/c1-23(2)17-12-6-10(24-3)4-5-11(12)16(21-22-17)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
7.80 -11.1n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair