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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 = 'BDBM50508217'   
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))		BDBM50508217
PNG
(CHEMBL4472994)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cncc12)C(=O)NCc1ccnc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H18FN5O3S/c23-15-1-3-16(4-2-15)28-20-13-24-11-19(18(20)12-27-28)22(29)26-10-14-7-8-25-21(9-14)32(30,31)17-5-6-17/h1-4,7-9,11-13,17H,5-6,10H2,(H,26,29)
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n/an/a 41n/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