BDBM50098639 1-Benzyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; bromide::CHEMBL33586

SMILES: O=C(NC1CC[N+](CC2CCCCCCC2)(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=NNLGZGRXOYTAHH-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 = 50098639   

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))	BDBM50098639 (1-Benzyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carb...) Show SMILES O=C(NC1CC[N+](CC2CCCCCCC2)(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12 |(-5.83,-6.9,;-5.8,-8.44,;-4.48,-9.21,;-3.16,-8.42,;-1.82,-9.18,;-.47,-8.42,;-.5,-6.88,;.84,-7.65,;2.41,-6.94,;1.81,-5.53,;2.41,-4.11,;3.83,-3.51,;5.24,-4.11,;5.84,-5.53,;5.24,-6.94,;3.83,-7.54,;-.51,-5.32,;-1.86,-4.57,;-1.88,-3.03,;-3.23,-2.29,;-4.54,-3.08,;-4.51,-4.63,;-3.18,-5.37,;-1.85,-6.13,;-3.16,-6.88,;-7.14,-9.21,;-8.46,-8.44,;-8.46,-6.9,;-9.8,-6.13,;-11.15,-6.9,;-11.12,-8.45,;-9.8,-9.21,;-9.8,-10.75,;-8.49,-11.52,;-8.49,-13.03,;-7.17,-13.8,;-5.83,-13.06,;-5.83,-11.53,;-7.14,-10.75,)| Show InChI InChI=1S/C35H42N2O2/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2/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	370	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)	BDBM50098639 (1-Benzyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carb...) Show SMILES O=C(NC1CC[N+](CC2CCCCCCC2)(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12 |(-5.83,-6.9,;-5.8,-8.44,;-4.48,-9.21,;-3.16,-8.42,;-1.82,-9.18,;-.47,-8.42,;-.5,-6.88,;.84,-7.65,;2.41,-6.94,;1.81,-5.53,;2.41,-4.11,;3.83,-3.51,;5.24,-4.11,;5.84,-5.53,;5.24,-6.94,;3.83,-7.54,;-.51,-5.32,;-1.86,-4.57,;-1.88,-3.03,;-3.23,-2.29,;-4.54,-3.08,;-4.51,-4.63,;-3.18,-5.37,;-1.85,-6.13,;-3.16,-6.88,;-7.14,-9.21,;-8.46,-8.44,;-8.46,-6.9,;-9.8,-6.13,;-11.15,-6.9,;-11.12,-8.45,;-9.8,-9.21,;-9.8,-10.75,;-8.49,-11.52,;-8.49,-13.03,;-7.17,-13.8,;-5.83,-13.06,;-5.83,-11.53,;-7.14,-10.75,)| Show InChI InChI=1S/C35H42N2O2/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+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