BDBM50176907 CHEMBL3814729

SMILES: NCCCCCC(=O)NCc1cccnc1

InChI Key: InChIKey=KFGLLHQUUUINTC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50176907   

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))	BDBM50176907 (CHEMBL3814729) Show SMILES NCCCCCC(=O)NCc1cccnc1 Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...				J Med Chem 59: 4210-20 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RKB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50176907 (CHEMBL3814729) Show SMILES NCCCCCC(=O)NCc1cccnc1 Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Irvine Curated by ChEMBL					Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...				J Med Chem 59: 4210-20 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RKB
					More data for this Ligand-Target Pair