BDBM50098627 1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-carbonyl)-amino]-1-methyl-piperidinium; iodide::CHEMBL33223

SMILES: C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12

InChI Key: InChIKey=ONWYQSQVAOAHJT-UHFFFAOYSA-O

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098627   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50098627 (1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |(8.73,-24.46,;8.74,-26,;10.08,-26.77,;11.65,-26.09,;11.05,-24.67,;11.65,-23.24,;13.07,-22.65,;14.48,-23.24,;15.08,-24.67,;14.48,-26.08,;13.07,-26.67,;7.39,-25.26,;6.07,-26,;6.07,-27.54,;7.42,-28.31,;8.77,-27.54,;4.75,-28.31,;3.41,-27.54,;3.4,-26,;2.1,-28.31,;.77,-27.54,;.77,-26,;-.57,-25.23,;-.58,-23.69,;-1.91,-26,;-1.89,-27.56,;-.58,-28.31,;-.6,-29.85,;.75,-30.62,;.74,-32.13,;2.06,-32.93,;3.41,-32.16,;4.89,-32.56,;3.41,-30.64,;2.1,-29.85,)| Show InChI InChI=1S/C29H36Br2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	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)	BDBM50098627 (1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |(8.73,-24.46,;8.74,-26,;10.08,-26.77,;11.65,-26.09,;11.05,-24.67,;11.65,-23.24,;13.07,-22.65,;14.48,-23.24,;15.08,-24.67,;14.48,-26.08,;13.07,-26.67,;7.39,-25.26,;6.07,-26,;6.07,-27.54,;7.42,-28.31,;8.77,-27.54,;4.75,-28.31,;3.41,-27.54,;3.4,-26,;2.1,-28.31,;.77,-27.54,;.77,-26,;-.57,-25.23,;-.58,-23.69,;-1.91,-26,;-1.89,-27.56,;-.58,-28.31,;-.6,-29.85,;.75,-30.62,;.74,-32.13,;2.06,-32.93,;3.41,-32.16,;4.89,-32.56,;3.41,-30.64,;2.1,-29.85,)| Show InChI InChI=1S/C29H36Br2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	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