BDBM50507006 CHEMBL4456005

SMILES: [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=INIHDUJEBIVBBD-UHFFFAOYSA-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 = 50507006   

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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50507006 (CHEMBL4456005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50507006 (CHEMBL4456005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026
					More data for this Ligand-Target Pair