BDBM50320947 (3S,20S,23S)-3-(3'-Nitro-4'-carboxybenzoyloxy)-20,23-dihydroxydammar-24-en-21-oic acid-21,23-lactone::CHEMBL1163240

SMILES: [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(-[#6](-[#8])=O)c(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1

InChI Key: InChIKey=RSONPOWNPKPGNO-GKKNLNSVSA-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 = 50320947   

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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50320947 ((3S,20S,23S)-3-(3'-Nitro-4'-carboxybenzoyloxy)-20,...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(-[#6](-[#8])=O)c(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H49NO9/c1-20(2)17-22-19-37(43,33(42)46-22)26-11-10-25-23(26)9-12-29-35(25,5)15-13-28-34(3,4)30(14-16-36(28,29)6)47-32(41)21-7-8-24(31(39)40)27(18-21)38(44)45/h7-8,17-18,22-23,25-26,28-30,43H,9-16,19H2,1-6H3,(H,39,40)/t22-,23+,25-,26+,28+,29+,30+,35+,36+,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP by pNPP hydrolase assay				Bioorg Med Chem 18: 3934-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.073 BindingDB Entry DOI: 10.7270/Q21C1X25
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50320947 ((3S,20S,23S)-3-(3'-Nitro-4'-carboxybenzoyloxy)-20,...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(-[#6](-[#8])=O)c(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H49NO9/c1-20(2)17-22-19-37(43,33(42)46-22)26-11-10-25-23(26)9-12-29-35(25,5)15-13-28-34(3,4)30(14-16-36(28,29)6)47-32(41)21-7-8-24(31(39)40)27(18-21)38(44)45/h7-8,17-18,22-23,25-26,28-30,43H,9-16,19H2,1-6H3,(H,39,40)/t22-,23+,25-,26+,28+,29+,30+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP hydrolase assay				Bioorg Med Chem 18: 3934-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.073 BindingDB Entry DOI: 10.7270/Q21C1X25
					More data for this Ligand-Target Pair