BDBM50246665 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-(2-methoxyphenyl)propanoic acid::CHEMBL446573

SMILES: COc1ccccc1CC(NC(=O)CCCC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O

InChI Key: InChIKey=KNIUSSTWACIPRX-OLHYUIGVSA-N

Data: 3 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 3 hits for monomerid = 50246665   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50246665 (2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...) Show SMILES COc1ccccc1CC(NC(=O)CCCC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:27| Show InChI InChI=1S/C44H67NO5/c1-39(2)23-25-44(20-12-11-15-37(47)45-32(38(48)49)27-29-13-9-10-14-33(29)50-8)26-24-42(6)30(31(44)28-39)16-17-35-41(5)21-19-36(46)40(3,4)34(41)18-22-43(35,42)7/h9-10,13-14,16,31-32,34-36,46H,11-12,15,17-28H2,1-8H3,(H,45,47)(H,48,49)/t31-,32?,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	530	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
Integrase (Human immunodeficiency virus 1)	BDBM50246665 (2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...) Show SMILES COc1ccccc1CC(NC(=O)CCCC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:27| Show InChI InChI=1S/C44H67NO5/c1-39(2)23-25-44(20-12-11-15-37(47)45-32(38(48)49)27-29-13-9-10-14-33(29)50-8)26-24-42(6)30(31(44)28-39)16-17-35-41(5)21-19-36(46)40(3,4)34(41)18-22-43(35,42)7/h9-10,13-14,16,31-32,34-36,46H,11-12,15,17-28H2,1-8H3,(H,45,47)(H,48,49)/t31-,32?,34-,35+,36-,41-,42+,43+,44+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 residues) interaction after 30 mins by AlphaScreen assay				J Med Chem 55: 10108-17 (2012) Article DOI: 10.1021/jm301226a BindingDB Entry DOI: 10.7270/Q2028VFH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50246665 (2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...) Show SMILES COc1ccccc1CC(NC(=O)CCCC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:27| Show InChI InChI=1S/C44H67NO5/c1-39(2)23-25-44(20-12-11-15-37(47)45-32(38(48)49)27-29-13-9-10-14-33(29)50-8)26-24-42(6)30(31(44)28-39)16-17-35-41(5)21-19-36(46)40(3,4)34(41)18-22-43(35,42)7/h9-10,13-14,16,31-32,34-36,46H,11-12,15,17-28H2,1-8H3,(H,45,47)(H,48,49)/t31-,32?,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	450	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