BDBM50098630 1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-carbonyl)-amino]-1-methyl-piperidinium; iodide::CHEMBL33929

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

InChI Key: InChIKey=GAWADCCAEQQLNX-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 = 50098630   

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))	BDBM50098630 (1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |(9.02,-6.84,;9.03,-8.38,;10.37,-9.15,;11.94,-8.48,;11.34,-7.06,;11.94,-5.63,;13.36,-5.04,;14.77,-5.63,;15.37,-7.06,;14.77,-8.47,;13.36,-9.06,;7.68,-7.65,;6.36,-8.38,;6.36,-9.92,;7.71,-10.69,;9.06,-9.92,;5.04,-10.69,;3.7,-9.92,;3.69,-8.38,;2.39,-10.69,;1.06,-9.92,;1.06,-8.38,;-.28,-7.61,;-.29,-6.07,;-1.63,-8.38,;-1.6,-9.95,;-.29,-10.69,;-.31,-12.23,;1.04,-13,;1.03,-14.53,;2.35,-15.31,;3.7,-14.54,;5.18,-14.95,;3.7,-13.03,;2.39,-12.23,)| Show InChI InChI=1S/C29H36Cl2N2O2/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	17	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)	BDBM50098630 (1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |(9.02,-6.84,;9.03,-8.38,;10.37,-9.15,;11.94,-8.48,;11.34,-7.06,;11.94,-5.63,;13.36,-5.04,;14.77,-5.63,;15.37,-7.06,;14.77,-8.47,;13.36,-9.06,;7.68,-7.65,;6.36,-8.38,;6.36,-9.92,;7.71,-10.69,;9.06,-9.92,;5.04,-10.69,;3.7,-9.92,;3.69,-8.38,;2.39,-10.69,;1.06,-9.92,;1.06,-8.38,;-.28,-7.61,;-.29,-6.07,;-1.63,-8.38,;-1.6,-9.95,;-.29,-10.69,;-.31,-12.23,;1.04,-13,;1.03,-14.53,;2.35,-15.31,;3.7,-14.54,;5.18,-14.95,;3.7,-13.03,;2.39,-12.23,)| Show InChI InChI=1S/C29H36Cl2N2O2/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	710	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