Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50160862'   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50160862 (CHEMBL2373486 | Fullerene Derivative) Show SMILES [H][C@@]12C3=C4c5c6c7-c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%11c%11c%10c%10c8[C@]8([H])c%18c%19c%20c%21c(c3c3c1c(c%16c1c3c%21c3c%16c%20c(c%10%18)c%11c%16c%13c%17c13)c%15=C1[C@]2([H])c5c2c7[C@]9([H])[C@]%12([H])[C@@]%143C(C(O)=O)(C(O)=O)[C@]123)[C@@]%191C(C(O)=O)(C(O)=O)[C@]41[C@]68[H] |c:2,t:68| Show InChI InChI=1S/C66H10O8/c67-57(68)65(58(69)70)61-49-33-21-9-1-2-6-4-8-16-23(11(4)9)35(33)51(61)42-30(16)20-28-18(8)26-14(6)22-10(2)12-3-5(1)13(21)25-17-7(3)15-24(12)36-34(22)50-38(26)40(28)54-46-32(20)44(42)55-47-45-31-19(27(17)39(37(25)49)53(45)63(55,61)65)29(15)41-43(31)56(48(46)47)64(54)62(50,52(36)41)66(64,59(71)72)60(73)74/h31,40,42,45,51,54H,(H,67,68)(H,69,70)(H,71,72)(H,73,74)/t31-,40+,42+,45-,51+,54-,61-,62-,63+,64+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoritsu University of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-Reverse transcriptase				Bioorg Med Chem Lett 15: 1107-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.030 BindingDB Entry DOI: 10.7270/Q29C6WZS
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