BDBM124257 Paracaseolide A (13)

SMILES: CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O

InChI Key: InChIKey=ZAFZFHLQBNISDI-VUOKYHFVSA-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 = 124257   

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))	BDBM124257 (Paracaseolide A (13)) Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17| Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University									Org Biomol Chem 12: 3441-5 (2014) Article DOI: 10.1039/c4ob00214h BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM124257 (Paracaseolide A (13)) Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17| Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University									Org Biomol Chem 12: 3441-5 (2014) Article DOI: 10.1039/c4ob00214h BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM124257 (Paracaseolide A (13)) Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17| Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University									Org Biomol Chem 12: 3441-5 (2014) Article DOI: 10.1039/c4ob00214h BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
					More data for this Ligand-Target Pair