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BDBM50402116 CHEMBL2207285

SMILES: O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=DTYDZUZTWZDAGL-QGZVFWFLSA-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 = 50402116   
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))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
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PC cid
PC sid
UniChem
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)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/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)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair