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BDBM50402132 CHEMBL2207665

SMILES: Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F

InChI Key: InChIKey=FLTAIVXWWOKLBO-CYBMUJFWSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50402132   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402132
PNG
(CHEMBL2207665)
Show SMILES Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-29-12-16(17(9-20(29)32)22(25,26)27)21(33)28-10-13(31)11-30-6-4-14(5-7-30)34-15-2-3-18(23)19(24)8-15/h2-3,8-9,12-14,31H,4-7,10-11H2,1H3,(H,28,33)/t13-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402132
PNG
(CHEMBL2207665)
Show SMILES Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-29-12-16(17(9-20(29)32)22(25,26)27)21(33)28-10-13(31)11-30-6-4-14(5-7-30)34-15-2-3-18(23)19(24)8-15/h2-3,8-9,12-14,31H,4-7,10-11H2,1H3,(H,28,33)/t13-/m1/s1
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Article
PubMed
5.01n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402132
PNG
(CHEMBL2207665)
Show SMILES Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-29-12-16(17(9-20(29)32)22(25,26)27)21(33)28-10-13(31)11-30-6-4-14(5-7-30)34-15-2-3-18(23)19(24)8-15/h2-3,8-9,12-14,31H,4-7,10-11H2,1H3,(H,28,33)/t13-/m1/s1
PDB
MMDB

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PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)

More data for this
Ligand-Target Pair