BDBM50179355 CHEMBL3814999

SMILES: OC(=O)c1ccc(cc1)\N=N\N1CCOCC1

InChI Key: InChIKey=LYXNLRWQOCAEPG-OUKQBFOZSA-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 = 50179355   

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 1A1 (Homo sapiens (Human))	BDBM50179355 (CHEMBL3814999) Show SMILES OC(=O)c1ccc(cc1)\N=N\N1CCOCC1 Show InChI InChI=1S/C11H13N3O3/c15-11(16)9-1-3-10(4-2-9)12-13-14-5-7-17-8-6-14/h1-4H,5-8H2,(H,15,16)/b13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Whittier College Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...				Bioorg Med Chem Lett 26: 3243-3247 (2016) BindingDB Entry DOI: 10.7270/Q2XG9T1M
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50179355 (CHEMBL3814999) Show SMILES OC(=O)c1ccc(cc1)\N=N\N1CCOCC1 Show InChI InChI=1S/C11H13N3O3/c15-11(16)9-1-3-10(4-2-9)12-13-14-5-7-17-8-6-14/h1-4H,5-8H2,(H,15,16)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Whittier College Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...				Bioorg Med Chem Lett 26: 3243-3247 (2016) BindingDB Entry DOI: 10.7270/Q2XG9T1M
					More data for this Ligand-Target Pair