BDBM50246666 2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)pentanamido)-3-(3-methoxyphenyl)propanoic acid::CHEMBL506260

SMILES: COc1cccc(CC(NC(=O)CCCC[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1

InChI Key: InChIKey=AXOUHBNQKNUOEI-NPBPUANSSA-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 = 50246666   

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))	BDBM50246666 (2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...) Show SMILES COc1cccc(CC(NC(=O)CCCC[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1 |r,t:25| Show InChI InChI=1S/C44H67NO5/c1-39(2)22-24-44(19-10-9-14-37(47)45-33(38(48)49)27-29-12-11-13-30(26-29)50-8)25-23-42(6)31(32(44)28-39)15-16-35-41(5)20-18-36(46)40(3,4)34(41)17-21-43(35,42)7/h11-13,15,26,32-36,46H,9-10,14,16-25,27-28H2,1-8H3,(H,45,47)(H,48,49)/t32-,33?,34-,35+,36-,41-,42+,43+,44+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50246666 (2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...) Show SMILES COc1cccc(CC(NC(=O)CCCC[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1 |r,t:25| Show InChI InChI=1S/C44H67NO5/c1-39(2)22-24-44(19-10-9-14-37(47)45-33(38(48)49)27-29-12-11-13-30(26-29)50-8)25-23-42(6)31(32(44)28-39)15-16-35-41(5)20-18-36(46)40(3,4)34(41)17-21-43(35,42)7/h11-13,15,26,32-36,46H,9-10,14,16-25,27-28H2,1-8H3,(H,45,47)(H,48,49)/t32-,33?,34-,35+,36-,41-,42+,43+,44+/m0/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	520	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
					More data for this Ligand-Target Pair