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SMILES: CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1

InChI Key: InChIKey=YXWWRPHSVBRJJH-YSYXNDDBSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50276898   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276898
PNG
(CHEMBL459600 | N-((1S)-3-(4-(3-isopropyl-1,2,4-oxa...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276898
PNG
(CHEMBL459600 | N-((1S)-3-(4-(3-isopropyl-1,2,4-oxa...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 94.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair