BDBM50284194 C32-O-cinnamyl ether analogue of L-683590::CHEMBL355620

SMILES: CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C=C

InChI Key: InChIKey=SNXUJNQZWSSYCY-OADNJHAXSA-N

Data: 1 EC50

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 1 hit for monomerid = 50284194   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50284194 (C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C=C |c:3| Show InChI InChI=1S/C46H73NO12/c1-11-30(7)57-38-24-32(16-17-35(38)48)22-28(5)41-31(8)36(49)25-37(50)33(12-2)20-26(3)19-27(4)21-39(55-9)42-40(56-10)23-29(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h11,20,22,27,29-36,38-42,48-49,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29-,30?,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay				Bioorg Med Chem Lett 4: 927-930 (1994) Article DOI: 10.1016/S0960-894X(01)80265-1 BindingDB Entry DOI: 10.7270/Q2CN73VP
					More data for this Ligand-Target Pair