Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50512901'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50512901 (CHEMBL1722772) Show SMILES O=C(N1CCN(Cc2ccc(cc2)C#N)CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 Show InChI InChI=1S/C28H26N6O/c29-17-22-8-10-24(11-9-22)19-32-13-15-33(16-14-32)28(35)26-21-34(20-23-5-2-1-3-6-23)31-27(26)25-7-4-12-30-18-25/h1-12,18,21H,13-16,19-20H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation p...				J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821 BindingDB Entry DOI: 10.7270/Q2X06BDS
					More data for this Ligand-Target Pair