BDBM50507005 CHEMBL4475108

SMILES: COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1OC

InChI Key: InChIKey=NYRQNTJRMWEOOQ-UHFFFAOYSA-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 = 50507005   

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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50507005 (CHEMBL4475108) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1OC Show InChI InChI=1S/C20H18N4O2/c1-25-17-10-9-13(12-18(17)26-2)22-19-14-6-3-4-7-15(14)23-20(24-19)16-8-5-11-21-16/h3-12,21H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured ov...				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))	BDBM50507005 (CHEMBL4475108) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1OC Show InChI InChI=1S/C20H18N4O2/c1-25-17-10-9-13(12-18(17)26-2)22-19-14-6-3-4-7-15(14)23-20(24-19)16-8-5-11-21-16/h3-12,21H,1-2H3,(H,22,23,24)	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	652	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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50507005 (CHEMBL4475108) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1OC Show InChI InChI=1S/C20H18N4O2/c1-25-17-10-9-13(12-18(17)26-2)22-19-14-6-3-4-7-15(14)23-20(24-19)16-8-5-11-21-16/h3-12,21H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCC1 in human H69AR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured over 6...				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026
					More data for this Ligand-Target Pair