BDBM50160865 CHEMBL2373969::Fullerene Derivative

SMILES: [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H]

InChI Key: InChIKey=FVKVSMBGGHLIFX-DCWBEHBGSA-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 = 50160865   

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)	BDBM50160865 (CHEMBL2373969 | Fullerene Derivative) Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H18O5/c1-3(69)2-4-59(65(70)71)67-61-51-43-33-23-15-7-5-6-9-13-11(7)19-27-21(13)31-25-17(9)18-10(6)14-12-8(5)16(15)24-30-20(12)28-22(14)32-26(18)36-35(25)45-39(31)49-41(27)47(37(43)29(19)23)55(61)57(49)63-53(45)54-46(36)40(32)50-42(28)48-38(30)44(34(24)33)52(51)62(67)56(48)58(50)64(54)68(63,67)60(4)66(72)73/h4,15-16,23-24,37,47,56,59-60,62H,2H2,1H3,(H,70,71)(H,72,73)/t4-,15+,16-,23-,24+,37+,47-,56+,59-,60-,62+,67+,68-/m0/s1	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 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)	BDBM50160865 (CHEMBL2373969 | Fullerene Derivative) Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H18O5/c1-3(69)2-4-59(65(70)71)67-61-51-43-33-23-15-7-5-6-9-13-11(7)19-27-21(13)31-25-17(9)18-10(6)14-12-8(5)16(15)24-30-20(12)28-22(14)32-26(18)36-35(25)45-39(31)49-41(27)47(37(43)29(19)23)55(61)57(49)63-53(45)54-46(36)40(32)50-42(28)48-38(30)44(34(24)33)52(51)62(67)56(48)58(50)64(54)68(63,67)60(4)66(72)73/h4,15-16,23-24,37,47,56,59-60,62H,2H2,1H3,(H,70,71)(H,72,73)/t4-,15+,16-,23-,24+,37+,47-,56+,59-,60-,62+,67+,68-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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