BDBM50284189 C32-O-cinnamyl ether analogue of L-683590::CHEMBL369579

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](OC\C=C\C)[C@H](O)C1

InChI Key: InChIKey=GHEJFVSEOBTLOX-KGLHEZQTSA-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 = 50284189   

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))	BDBM50284189 (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](OC\C=C\C)[C@H](O)C1 |c:3| Show InChI InChI=1S/C46H73NO12/c1-10-12-19-57-38-17-16-32(25-37(38)50)23-29(5)41-31(7)35(48)26-36(49)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-35,37-42,48,50,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35-,37+,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	9.20	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