BDBM50322765 3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-)-beta-D-ribopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosylhederagenin 28-O-alpha-L-rhamnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-6)-beta-Dglucopyranoside::CHEMBL1171455

SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=RSXCUISJJNMWSU-FMYXLBHYSA-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 = 50322765   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50322765 (3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyrano...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O40/c1-27-40(82)46(88)52(94)64(104-27)112-58-33(21-78)107-62(55(97)49(58)91)102-24-35-44(86)48(90)54(96)67(110-35)116-70(100)76-17-15-71(3,4)19-30(76)29-9-10-38-72(5)13-12-39(73(6,26-80)37(72)11-14-75(38,8)74(29,7)16-18-76)111-69-61(42(84)31(81)23-101-69)115-68-57(99)60(41(83)28(2)105-68)114-63-51(93)45(87)36(25-103-63)109-65-56(98)50(92)59(34(22-79)108-65)113-66-53(95)47(89)43(85)32(20-77)106-66/h9,27-28,30-69,77-99H,10-26H2,1-8H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,72-,73-,74+,75+,76-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of COX2 by microplate reader				J Nat Prod 73: 1234-9 (2010) Article DOI: 10.1021/np100057y BindingDB Entry DOI: 10.7270/Q26Q1XF3
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50322765 (3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyrano...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O40/c1-27-40(82)46(88)52(94)64(104-27)112-58-33(21-78)107-62(55(97)49(58)91)102-24-35-44(86)48(90)54(96)67(110-35)116-70(100)76-17-15-71(3,4)19-30(76)29-9-10-38-72(5)13-12-39(73(6,26-80)37(72)11-14-75(38,8)74(29,7)16-18-76)111-69-61(42(84)31(81)23-101-69)115-68-57(99)60(41(83)28(2)105-68)114-63-51(93)45(87)36(25-103-63)109-65-56(98)50(92)59(34(22-79)108-65)113-66-53(95)47(89)43(85)32(20-77)106-66/h9,27-28,30-69,77-99H,10-26H2,1-8H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,72-,73-,74+,75+,76-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of COX1 by microplate reader				J Nat Prod 73: 1234-9 (2010) Article DOI: 10.1021/np100057y BindingDB Entry DOI: 10.7270/Q26Q1XF3
					More data for this Ligand-Target Pair