BDBM50160864 CHEMBL2373970::Fullerene Derivative

SMILES: [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H]

InChI Key: InChIKey=JGQCYTLLVMXXQL-LLUJJWFISA-N

Data: 2 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 2 hits for monomerid = 50160864   

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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50160864 (CHEMBL2373970 | Fullerene Derivative) Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C65H15NO4/c67-3(68)1-66-2-64-58-50-42-32-22-14-6-4-5-8-12-10(6)18-26-20(12)30-24-16(8)17-9(5)13-11-7(4)15(14)23-29-19(11)27-21(13)31-25(17)35-34(24)46-40(30)48-38(26)44(36(42)28(18)22)52(58)54(48)60-56(46)57-47(35)41(31)49-39(27)45-37(29)43(33(23)32)51(50)59(64)53(45)55(49)61(57)65(60,64)62(66)63(69)70/h14-15,22-23,36,44,53,59,62H,1-2H2,(H,67,68)(H,69,70)/t14-,15+,22+,23-,36-,44+,53-,59-,62+,64-,65+/m1/s1	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoritsu University of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus-RNA-dependent RNA polymerase				Bioorg Med Chem Lett 15: 1107-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.030 BindingDB Entry DOI: 10.7270/Q29C6WZS
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50160864 (CHEMBL2373970 | Fullerene Derivative) Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C65H15NO4/c67-3(68)1-66-2-64-58-50-42-32-22-14-6-4-5-8-12-10(6)18-26-20(12)30-24-16(8)17-9(5)13-11-7(4)15(14)23-29-19(11)27-21(13)31-25(17)35-34(24)46-40(30)48-38(26)44(36(42)28(18)22)52(58)54(48)60-56(46)57-47(35)41(31)49-39(27)45-37(29)43(33(23)32)51(50)59(64)53(45)55(49)61(57)65(60,64)62(66)63(69)70/h14-15,22-23,36,44,53,59,62H,1-2H2,(H,67,68)(H,69,70)/t14-,15+,22+,23-,36-,44+,53-,59-,62+,64-,65+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
					More data for this Ligand-Target Pair