Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50398350'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50398350 (CHEMBL486030 | UCB-35625) Show SMILES CC[N+]1(CC2CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |(6.24,.37,;4.7,.37,;3.93,-.96,;3.15,.37,;1.61,.36,;.95,-1.01,;-.55,-1.37,;-1.76,-.42,;-1.77,1.11,;-.58,2.08,;.93,1.75,;5.26,-1.74,;5.27,-3.27,;3.93,-4.04,;2.6,-3.28,;2.6,-1.74,;3.94,-5.58,;2.61,-6.36,;1.27,-5.59,;2.62,-7.9,;3.95,-8.66,;5.28,-7.88,;6.62,-8.64,;7.94,-7.85,;6.63,-10.19,;5.3,-10.97,;3.96,-10.2,;2.63,-10.98,;1.29,-10.21,;-.04,-10.99,;-1.37,-10.22,;-1.37,-8.68,;-2.7,-7.91,;-.04,-7.91,;1.29,-8.67,)| Show InChI InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Antagonist activity at CCR1 assessed as inhibition of CCL3-induced chemotaxis by cell based assay				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
					More data for this Ligand-Target Pair