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SMILES: OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=VTHWQYXBJYENPF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082677   
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 1


(Homo sapiens (Human))		BDBM50082677
PNG
(5-{3-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydr...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H28ClF3N2OS/c31-26-11-10-22(18-25(26)30(32,33)34)29(37)13-16-36(17-14-29)15-5-12-28(20-35)23-7-2-1-6-21(23)19-38-27-9-4-3-8-24(27)28/h1-4,6-11,18,37H,5,12-17,19H2
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Similars
PubMed
 224n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells

J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair