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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50508207'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50508207
PNG
(CHEMBL4471579)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C21H17FN4O3S/c1-30(28,29)20-10-5-14(11-23-20)12-24-21(27)17-3-2-4-19-18(17)13-25-26(19)16-8-6-15(22)7-9-16/h2-11,13H,12H2,1H3,(H,24,27)
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PC cid
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Article
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...

Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair