BDBM50098637 1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide::CHEMBL33614

SMILES: CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=PYGZDANTNNNKDC-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 = 50098637   

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))	BDBM50098637 (1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...) Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(3.85,.09,;3.46,-1.42,;1.96,-1.83,;1.58,-3.31,;2.91,-4.08,;4.46,-3.4,;5.89,-3.98,;7.31,-3.4,;7.89,-1.96,;7.31,-.56,;5.89,.03,;4.46,-.56,;3.89,-1.99,;.24,-2.57,;-1.09,-3.31,;-1.08,-4.85,;.27,-5.62,;1.61,-4.85,;-2.39,-5.65,;-3.72,-4.88,;-3.74,-3.34,;-5.05,-5.65,;-6.37,-4.88,;-6.37,-3.34,;-7.71,-2.57,;-9.05,-3.34,;-9.03,-4.88,;-7.72,-5.65,;-7.71,-7.19,;-6.4,-7.95,;-6.41,-9.46,;-5.08,-10.25,;-3.74,-9.49,;-3.74,-7.95,;-5.05,-7.19,)| Show InChI InChI=1S/C31H42N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/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	3.60	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)	BDBM50098637 (1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...) Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(3.85,.09,;3.46,-1.42,;1.96,-1.83,;1.58,-3.31,;2.91,-4.08,;4.46,-3.4,;5.89,-3.98,;7.31,-3.4,;7.89,-1.96,;7.31,-.56,;5.89,.03,;4.46,-.56,;3.89,-1.99,;.24,-2.57,;-1.09,-3.31,;-1.08,-4.85,;.27,-5.62,;1.61,-4.85,;-2.39,-5.65,;-3.72,-4.88,;-3.74,-3.34,;-5.05,-5.65,;-6.37,-4.88,;-6.37,-3.34,;-7.71,-2.57,;-9.05,-3.34,;-9.03,-4.88,;-7.72,-5.65,;-7.71,-7.19,;-6.4,-7.95,;-6.41,-9.46,;-5.08,-10.25,;-3.74,-9.49,;-3.74,-7.95,;-5.05,-7.19,)| Show InChI InChI=1S/C31H42N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	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