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BDBM50363950 CHEMBL1951775

SMILES: O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1

InChI Key: InChIKey=HBTZTMSFUWNTTQ-TXTKFYIRSA-N

Data: 3 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 = 50363950   
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 2


(Homo sapiens (Human))
BDBM50363950
PNG
(CHEMBL1951775)
Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1 |r,wU:4.7,wD:10.13,1.0,(-4.71,-6.18,;-3.93,-7.52,;-3.12,-8.84,;-1.59,-8.8,;-.84,-7.46,;-1.64,-6.14,;-3.18,-6.17,;.7,-7.43,;1.62,-8.65,;3.08,-8.14,;3.05,-6.61,;1.57,-6.16,;4.37,-5.82,;5.71,-6.57,;5.73,-8.11,;7.04,-5.79,;8.38,-6.54,;9.7,-5.75,;9.69,-4.21,;11.05,-6.51,;11.06,-8.04,;12.4,-8.8,;13.73,-8.01,;13.7,-6.46,;12.36,-5.72,;15.02,-5.67,;16.37,-6.42,;15,-4.13,;16.35,-4.89,;-5.47,-7.55,;-6.27,-6.24,;-7.8,-6.27,;-8.55,-7.62,;-7.75,-8.94,;-6.21,-8.91,)|
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(12-17)22(34)28-14-21(33)31-19-7-11-32(15-19)20-4-8-23(35,9-5-20)18-6-10-29-30-13-18/h1-3,6,10,12-13,19-20,35H,4-5,7-9,11,14-15H2,(H,28,34)(H,31,33)/t19-,20-,23-/m1/s1
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC after 30 mins by gamma counter


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363950
PNG
(CHEMBL1951775)
Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1 |r,wU:4.7,wD:10.13,1.0,(-4.71,-6.18,;-3.93,-7.52,;-3.12,-8.84,;-1.59,-8.8,;-.84,-7.46,;-1.64,-6.14,;-3.18,-6.17,;.7,-7.43,;1.62,-8.65,;3.08,-8.14,;3.05,-6.61,;1.57,-6.16,;4.37,-5.82,;5.71,-6.57,;5.73,-8.11,;7.04,-5.79,;8.38,-6.54,;9.7,-5.75,;9.69,-4.21,;11.05,-6.51,;11.06,-8.04,;12.4,-8.8,;13.73,-8.01,;13.7,-6.46,;12.36,-5.72,;15.02,-5.67,;16.37,-6.42,;15,-4.13,;16.35,-4.89,;-5.47,-7.55,;-6.27,-6.24,;-7.8,-6.27,;-8.55,-7.62,;-7.75,-8.94,;-6.21,-8.91,)|
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(12-17)22(34)28-14-21(33)31-19-7-11-32(15-19)20-4-8-23(35,9-5-20)18-6-10-29-30-13-18/h1-3,6,10,12-13,19-20,35H,4-5,7-9,11,14-15H2,(H,28,34)(H,31,33)/t19-,20-,23-/m1/s1
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MMDB

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Article
PubMed
n/an/a>30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of dofetidine from human Erg


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363950
PNG
(CHEMBL1951775)
Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1 |r,wU:4.7,wD:10.13,1.0,(-4.71,-6.18,;-3.93,-7.52,;-3.12,-8.84,;-1.59,-8.8,;-.84,-7.46,;-1.64,-6.14,;-3.18,-6.17,;.7,-7.43,;1.62,-8.65,;3.08,-8.14,;3.05,-6.61,;1.57,-6.16,;4.37,-5.82,;5.71,-6.57,;5.73,-8.11,;7.04,-5.79,;8.38,-6.54,;9.7,-5.75,;9.69,-4.21,;11.05,-6.51,;11.06,-8.04,;12.4,-8.8,;13.73,-8.01,;13.7,-6.46,;12.36,-5.72,;15.02,-5.67,;16.37,-6.42,;15,-4.13,;16.35,-4.89,;-5.47,-7.55,;-6.27,-6.24,;-7.8,-6.27,;-8.55,-7.62,;-7.75,-8.94,;-6.21,-8.91,)|
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(12-17)22(34)28-14-21(33)31-19-7-11-32(15-19)20-4-8-23(35,9-5-20)18-6-10-29-30-13-18/h1-3,6,10,12-13,19-20,35H,4-5,7-9,11,14-15H2,(H,28,34)(H,31,33)/t19-,20-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair