BDBM50257964 5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-2-((R)-2-methylpiperazin-1-yl)pyrimidine::CHEMBL494948

SMILES: C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C

InChI Key: InChIKey=QFPUYOAZKKYGQE-CHWSQXEVSA-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 = 50257964   

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 3A4 (Homo sapiens (Human))	BDBM50257964 (5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...) Show SMILES C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r| Show InChI InChI=1S/C18H22F2N4O/c1-12-10-21-6-7-24(12)18-22-11-16(20)17(23-18)25-13(2)8-14-4-3-5-15(19)9-14/h3-5,9,11-13,21H,6-8,10H2,1-2H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 19: 1559-63 (2009) Article DOI: 10.1016/j.bmcl.2009.02.032 BindingDB Entry DOI: 10.7270/Q22807G5
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50257964 (5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...) Show SMILES C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r| Show InChI InChI=1S/C18H22F2N4O/c1-12-10-21-6-7-24(12)18-22-11-16(20)17(23-18)25-13(2)8-14-4-3-5-15(19)9-14/h3-5,9,11-13,21H,6-8,10H2,1-2H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 19: 1559-63 (2009) Article DOI: 10.1016/j.bmcl.2009.02.032 BindingDB Entry DOI: 10.7270/Q22807G5
					More data for this Ligand-Target Pair