Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098634'   

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))	BDBM50098634 (1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)| Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	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 (Homo sapiens (Human))	BDBM50098634 (1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)| Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50098634 (1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)| Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	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