Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50489310'   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50489310 (CHEMBL2316434) Show SMILES [H][C@@]1(CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)C1c2ccccc2-c2ccccc12 |r,wU:26.27,4.7,1.0,wD:29.34,(46.36,-1.75,;46.38,-3.29,;45.05,-2.51,;43.72,-3.29,;43.72,-4.83,;45.05,-5.59,;46.38,-4.83,;42.38,-5.6,;41.05,-4.83,;41.05,-3.29,;39.71,-5.6,;38.38,-4.84,;37.05,-5.61,;35.71,-4.84,;34.38,-5.61,;33.04,-4.84,;33.04,-3.3,;34.38,-7.15,;33.05,-7.92,;31.71,-7.16,;35.73,-7.92,;35.73,-9.46,;34.4,-10.24,;37.05,-7.14,;47.72,-2.52,;47.72,-.97,;49.05,-3.29,;50.37,-2.53,;51.71,-3.32,;51.7,-4.86,;50.36,-5.62,;49.03,-4.85,;53.03,-5.64,;54.37,-4.88,;54.38,-3.34,;55.65,-5.73,;57.09,-5.2,;57.66,-3.78,;59.17,-3.55,;60.13,-4.76,;59.56,-6.18,;58.04,-6.4,;57.2,-7.69,;57.58,-9.17,;56.48,-10.24,;54.99,-9.83,;54.62,-8.34,;55.71,-7.27,)| Show InChI InChI=1S/C39H45NO7/c1-40(26-14-18-28(19-15-26)46-36(41)22-13-25-23-34(43-2)38(45-4)35(24-25)44-3)27-16-20-29(21-17-27)47-39(42)37-32-11-7-5-9-30(32)31-10-6-8-12-33(31)37/h5-13,22-24,26-29,37H,14-21H2,1-4H3/b22-13+/t26-,27-,28-,29-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human doxorubicin-resistant K562 cells assessed as half maximal increase of pirarubicin accumulation by spectrofluoro...				Bioorg Med Chem 21: 456-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.019 BindingDB Entry DOI: 10.7270/Q2ST7SQM
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