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BDBM50402114 CHEMBL2207654

SMILES: O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NZFSPDVTABQASR-QGZVFWFLSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402114   
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))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.316n/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
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
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Article
PubMed
2.51n/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
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+3n/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
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair