BDBM50452871 CHEMBL4218256

SMILES: N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F

InChI Key: InChIKey=RHHCTNLLLQCYIV-VIFPVBQESA-N

Data: 3 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 3 hits for monomerid = 50452871   

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))	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated midazolam metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated testosterone metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in CHO cells by patch clamp method				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair