BDBM50372843 CHEMBL401545

SMILES: CCc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=CLXQASNQVOBRFA-NRFANRHFSA-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 = 50372843   

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))	BDBM50372843 (CHEMBL401545) Show SMILES CCc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C Show InChI InChI=1S/C26H34FN7O/c1-3-19-15-22(25-30-31-32-33(25)2)17-24(16-19)29-26(35)28-11-5-13-34-12-4-6-21(18-34)14-20-7-9-23(27)10-8-20/h7-10,15-17,21H,3-6,11-14,18H2,1-2H3,(H2,28,29,35)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM50372843 (CHEMBL401545) Show SMILES CCc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C Show InChI InChI=1S/C26H34FN7O/c1-3-19-15-22(25-30-31-32-33(25)2)17-24(16-19)29-26(35)28-11-5-13-34-12-4-6-21(18-34)14-20-7-9-23(27)10-8-20/h7-10,15-17,21H,3-6,11-14,18H2,1-2H3,(H2,28,29,35)/t21-/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	1	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