Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098650'   

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))	BDBM50098650 (9H-Xanthene-9-carboxylic acid (1-cyclooctylmethyl-...) Show SMILES O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	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))	BDBM50098650 (9H-Xanthene-9-carboxylic acid (1-cyclooctylmethyl-...) Show SMILES O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	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)	BDBM50098650 (9H-Xanthene-9-carboxylic acid (1-cyclooctylmethyl-...) Show SMILES O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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