BDBM50210001 1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(1-acetylpiperidin-4-yl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::CHEMBL399893

SMILES: CC(=O)N1CCC(CC1)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O

InChI Key: InChIKey=GQPVTPBVODGSBT-QXTIUPHPSA-N

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 = 50210001   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50210001 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)N1CCC(CC1)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O Show InChI InChI=1S/C32H45FN6O3S/c1-21-30(22(2)40)43-32(34-21)36-31(42)35-29-20-39(28-11-15-38(16-12-28)23(3)41)14-10-26(29)19-37-13-4-5-25(18-37)17-24-6-8-27(33)9-7-24/h6-9,25-26,28-29H,4-5,10-20H2,1-3H3,(H2,34,35,36,42)/t25-,26-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50210001 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)N1CCC(CC1)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O Show InChI InChI=1S/C32H45FN6O3S/c1-21-30(22(2)40)43-32(34-21)36-31(42)35-29-20-39(28-11-15-38(16-12-28)23(3)41)14-10-26(29)19-37-13-4-5-25(18-37)17-24-6-8-27(33)9-7-24/h6-9,25-26,28-29H,4-5,10-20H2,1-3H3,(H2,34,35,36,42)/t25-,26-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair