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 = 'BDBM50595123'   

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))	BDBM50595123 (CHEMBL5206067) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc([nH]2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc(n2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc1[nH]2 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3
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