Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098622'   

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))	BDBM50098622 (1-Cyclooctylmethyl-4-diphenylacetylamino-1-methyl-...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C(c1ccccc1)c1ccccc1 |(9.05,-12.4,;9.04,-14.01,;10.36,-14.84,;11.92,-14.15,;11.33,-12.74,;11.92,-11.31,;13.34,-10.72,;14.75,-11.29,;15.36,-12.74,;14.78,-14.15,;13.34,-14.74,;9.05,-15.61,;7.7,-16.38,;6.36,-15.61,;6.36,-14.07,;7.67,-13.31,;5.04,-16.38,;3.72,-15.61,;3.7,-14.07,;2.38,-16.38,;1.06,-15.61,;1.06,-14.07,;-.28,-13.3,;-1.62,-14.07,;-1.6,-15.62,;-.29,-16.38,;2.38,-17.92,;1.04,-18.69,;1.03,-20.2,;2.35,-20.97,;3.7,-20.22,;3.7,-18.7,)| Show InChI InChI=1S/C29H40N2O/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-29(32)28(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28H,2-4,7-8,13-14,19-23H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	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)	BDBM50098622 (1-Cyclooctylmethyl-4-diphenylacetylamino-1-methyl-...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C(c1ccccc1)c1ccccc1 |(9.05,-12.4,;9.04,-14.01,;10.36,-14.84,;11.92,-14.15,;11.33,-12.74,;11.92,-11.31,;13.34,-10.72,;14.75,-11.29,;15.36,-12.74,;14.78,-14.15,;13.34,-14.74,;9.05,-15.61,;7.7,-16.38,;6.36,-15.61,;6.36,-14.07,;7.67,-13.31,;5.04,-16.38,;3.72,-15.61,;3.7,-14.07,;2.38,-16.38,;1.06,-15.61,;1.06,-14.07,;-.28,-13.3,;-1.62,-14.07,;-1.6,-15.62,;-.29,-16.38,;2.38,-17.92,;1.04,-18.69,;1.03,-20.2,;2.35,-20.97,;3.7,-20.22,;3.7,-18.7,)| Show InChI InChI=1S/C29H40N2O/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-29(32)28(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28H,2-4,7-8,13-14,19-23H2,1H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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