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BDBM50363955 CHEMBL1951767

SMILES: Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=YKSPNNYIWLFVCY-FXSPECFOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363955   
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))		BDBM50363955
PNG
(CHEMBL1951767)
Show SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:17.21,11.15,wD:7.8,(19.13,3.03,;20.67,3.06,;21.42,4.41,;22.95,4.45,;23.75,3.13,;23.01,1.77,;21.47,1.74,;25.29,3.17,;24.52,4.51,;26.1,1.85,;27.63,1.88,;28.38,3.23,;27.58,4.55,;26.04,4.52,;29.92,3.26,;30.84,2.04,;32.3,2.54,;32.27,4.08,;30.79,4.53,;33.59,4.87,;34.93,4.11,;34.95,2.57,;36.26,4.9,;37.6,4.15,;38.93,4.93,;38.91,6.47,;40.27,4.18,;40.28,2.64,;41.62,1.89,;42.95,2.68,;42.92,4.22,;41.58,4.97,;44.24,5.01,;45.59,4.27,;44.22,6.55,;45.57,5.79,)|
Show InChI InChI=1S/C27H32F3N3O3/c1-18-5-7-20(8-6-18)26(36)12-9-23(10-13-26)33-14-11-22(17-33)32-24(34)16-31-25(35)19-3-2-4-21(15-19)27(28,29)30/h2-8,15,22-23,36H,9-14,16-17H2,1H3,(H,31,35)(H,32,34)/t22-,23-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/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