BDBM50372845 CHEMBL404585

SMILES: CCc1cc(NC(=O)N[C@H](C)C[C@@H](N(C)C)N2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=FGWVPTQNIIZCGL-CGHRXAFASA-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 = 50372845   

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))	BDBM50372845 (CHEMBL404585) Show SMILES CCc1cc(NC(=O)N[C@H](C)C[C@@H](N(C)C)N2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C Show InChI InChI=1S/C29H41FN8O/c1-6-21-16-24(28-33-34-35-37(28)5)18-26(17-21)32-29(39)31-20(2)14-27(36(3)4)38-13-7-8-23(19-38)15-22-9-11-25(30)12-10-22/h9-12,16-18,20,23,27H,6-8,13-15,19H2,1-5H3,(H2,31,32,39)/t20-,23+,27+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 576-85 (2008) Article DOI: 10.1016/j.bmcl.2007.11.067 BindingDB Entry DOI: 10.7270/Q2057GS3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50372845 (CHEMBL404585) Show SMILES CCc1cc(NC(=O)N[C@H](C)C[C@@H](N(C)C)N2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C Show InChI InChI=1S/C29H41FN8O/c1-6-21-16-24(28-33-34-35-37(28)5)18-26(17-21)32-29(39)31-20(2)14-27(36(3)4)38-13-7-8-23(19-38)15-22-9-11-25(30)12-10-22/h9-12,16-18,20,23,27H,6-8,13-15,19H2,1-5H3,(H2,31,32,39)/t20-,23+,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]eotaxin from human CCR3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 576-85 (2008) Article DOI: 10.1016/j.bmcl.2007.11.067 BindingDB Entry DOI: 10.7270/Q2057GS3
					More data for this Ligand-Target Pair