null

SMILES: C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O

InChI Key: InChIKey=OXYDHUNPMSPUCC-GXSJLCMTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124971   

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
Integrase (Human immunodeficiency virus 1)	BDBM50124971 ((2R,3S)-5,6,8,5',6',8'-Hexahydroxy-2,3,2',3'-tetra...) Show SMILES C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O |wU:18.21,1.0,(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.66,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,;4.88,-11.32,;6.23,-12.07,;7.54,-11.3,;6.24,-13.61,;7.58,-14.38,;4.91,-14.4,;4.91,-15.94,)| Show InChI InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31-34,37-38H,1-4H3/t9-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase in coupled transfer assay				Bioorg Med Chem Lett 13: 713-7 (2003) BindingDB Entry DOI: 10.7270/Q22R3R1H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50124971 ((2R,3S)-5,6,8,5',6',8'-Hexahydroxy-2,3,2',3'-tetra...) Show SMILES C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O |wU:18.21,1.0,(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.66,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,;4.88,-11.32,;6.23,-12.07,;7.54,-11.3,;6.24,-13.61,;7.58,-14.38,;4.91,-14.4,;4.91,-15.94,)| Show InChI InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31-34,37-38H,1-4H3/t9-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase in strand transfer assay				Bioorg Med Chem Lett 13: 713-7 (2003) BindingDB Entry DOI: 10.7270/Q22R3R1H
					More data for this Ligand-Target Pair