BDBM50372844 CHEMBL257737

SMILES: C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(C)cc(c1)-c1nnnn1C

InChI Key: InChIKey=SPDRJYHRLHGQBR-CTNGQTDRSA-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 = 50372844   

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))	BDBM50372844 (CHEMBL257737) Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(C)cc(c1)-c1nnnn1C Show InChI InChI=1S/C26H34FN7O/c1-18-13-22(25-30-31-32-33(25)3)16-24(14-18)29-26(35)28-19(2)10-12-34-11-4-5-21(17-34)15-20-6-8-23(27)9-7-20/h6-9,13-14,16,19,21H,4-5,10-12,15,17H2,1-3H3,(H2,28,29,35)/t19-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50372844 (CHEMBL257737) Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(C)cc(c1)-c1nnnn1C Show InChI InChI=1S/C26H34FN7O/c1-18-13-22(25-30-31-32-33(25)3)16-24(14-18)29-26(35)28-19(2)10-12-34-11-4-5-21(17-34)15-20-6-8-23(27)9-7-20/h6-9,13-14,16,19,21H,4-5,10-12,15,17H2,1-3H3,(H2,28,29,35)/t19-,21+/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	1.20	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