BDBM50082680 4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-butyl)-4-hydroxy-piperidinium; iodide::CHEMBL342444

SMILES: OC1(CC[NH+](CCCC(C#N)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=CKLCGGQKUDEKPA-UHFFFAOYSA-O

Data: 1 KI  1 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 = 50082680   

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))	BDBM50082680 (4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-b...) Show SMILES OC1(CC[NH+](CCCC(C#N)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1 |(10.22,-13.57,;9.15,-14.65,;8.43,-13.29,;6.89,-13.25,;5.58,-14.63,;4.75,-13.77,;4.75,-12.23,;3.42,-11.45,;3.42,-9.92,;4.75,-9.13,;6.06,-8.35,;2.63,-8.58,;1.09,-8.58,;.3,-7.24,;1.07,-5.9,;.29,-4.55,;1.06,-3.2,;2.6,-3.18,;3.39,-4.52,;2.62,-5.89,;3.4,-7.23,;6.79,-15.88,;8.33,-15.94,;10.22,-15.72,;9.82,-17.19,;10.89,-18.25,;12.35,-17.86,;13.42,-18.95,;12.74,-16.39,;11.68,-15.34,)| Show InChI InChI=1S/C26H27ClN2O/c27-25-11-9-24(10-12-25)26(30)13-16-29(17-14-26)15-3-6-23(19-28)22-8-7-20-4-1-2-5-21(20)18-22/h1-2,4-5,7-12,18,23,30H,3,6,13-17H2/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells				J Med Chem 42: 4680-94 (1999) BindingDB Entry DOI: 10.7270/Q2125TCC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50082680 (4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-b...) Show SMILES OC1(CC[NH+](CCCC(C#N)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1 |(10.22,-13.57,;9.15,-14.65,;8.43,-13.29,;6.89,-13.25,;5.58,-14.63,;4.75,-13.77,;4.75,-12.23,;3.42,-11.45,;3.42,-9.92,;4.75,-9.13,;6.06,-8.35,;2.63,-8.58,;1.09,-8.58,;.3,-7.24,;1.07,-5.9,;.29,-4.55,;1.06,-3.2,;2.6,-3.18,;3.39,-4.52,;2.62,-5.89,;3.4,-7.23,;6.79,-15.88,;8.33,-15.94,;10.22,-15.72,;9.82,-17.19,;10.89,-18.25,;12.35,-17.86,;13.42,-18.95,;12.74,-16.39,;11.68,-15.34,)| Show InChI InChI=1S/C26H27ClN2O/c27-25-11-9-24(10-12-25)26(30)13-16-29(17-14-26)15-3-6-23(19-28)22-8-7-20-4-1-2-5-21(20)18-22/h1-2,4-5,7-12,18,23,30H,3,6,13-17H2/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of MIP-1-alpha-induced intracellular calcium mobilization in HEK293 cells expressing human CCR1 receptor				J Med Chem 42: 4680-94 (1999) BindingDB Entry DOI: 10.7270/Q2125TCC
					More data for this Ligand-Target Pair