Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098626'   

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))	BDBM50098626 (1-Cyclooctylmethyl-1-ethyl-4-[(9H-xanthene-9-carbo...) Show SMILES CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(2.19,-1.52,;3.28,-2.61,;3.28,-4.15,;4.63,-4.92,;6.19,-4.23,;5.59,-2.82,;6.19,-1.39,;7.61,-.8,;9.03,-1.39,;9.63,-2.8,;9.03,-4.23,;7.61,-4.82,;1.94,-3.4,;.62,-4.15,;.62,-5.69,;1.97,-6.46,;3.32,-5.69,;-.69,-6.48,;-2.01,-5.71,;-2.04,-4.17,;-3.36,-6.48,;-4.67,-5.71,;-4.67,-4.17,;-6.02,-3.4,;-7.37,-4.17,;-7.34,-5.72,;-6.02,-6.48,;-6.02,-8.02,;-4.71,-8.79,;-4.71,-10.31,;-3.39,-11.08,;-2.04,-10.33,;-2.04,-8.8,;-3.36,-8.02,)| Show InChI InChI=1S/C30H40N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.				J Med Chem 44: 1429-35 (2001) BindingDB Entry DOI: 10.7270/Q2G73D0G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50098626 (1-Cyclooctylmethyl-1-ethyl-4-[(9H-xanthene-9-carbo...) Show SMILES CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(2.19,-1.52,;3.28,-2.61,;3.28,-4.15,;4.63,-4.92,;6.19,-4.23,;5.59,-2.82,;6.19,-1.39,;7.61,-.8,;9.03,-1.39,;9.63,-2.8,;9.03,-4.23,;7.61,-4.82,;1.94,-3.4,;.62,-4.15,;.62,-5.69,;1.97,-6.46,;3.32,-5.69,;-.69,-6.48,;-2.01,-5.71,;-2.04,-4.17,;-3.36,-6.48,;-4.67,-5.71,;-4.67,-4.17,;-6.02,-3.4,;-7.37,-4.17,;-7.34,-5.72,;-6.02,-6.48,;-6.02,-8.02,;-4.71,-8.79,;-4.71,-10.31,;-3.39,-11.08,;-2.04,-10.33,;-2.04,-8.8,;-3.36,-8.02,)| Show InChI InChI=1S/C30H40N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.				J Med Chem 44: 1429-35 (2001) BindingDB Entry DOI: 10.7270/Q2G73D0G
					More data for this Ligand-Target Pair