BDBM50284183 C32-O-cinnamyl ether analogue of L-683590::CHEMBL406510

SMILES: CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](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\c2cccc(c2)[N+]([O-])=O)[C@@H](C1)OC

InChI Key: InChIKey=XFEQQVPWZOXHNG-FRGOGHCISA-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 = 50284183   

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))	BDBM50284183 (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]2O[C@](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\c2cccc(c2)[N+]([O-])=O)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H76N2O14/c1-10-38-24-31(2)23-32(3)25-45(64-8)48-46(65-9)27-34(5)52(60,68-48)49(57)50(58)53-21-12-11-18-40(53)51(59)67-47(35(6)41(55)30-42(38)56)33(4)26-37-19-20-43(44(29-37)63-7)66-22-14-16-36-15-13-17-39(28-36)54(61)62/h13-17,24,26,28,32,34-35,37-38,40-41,43-48,55,60H,10-12,18-23,25,27,29-30H2,1-9H3/b16-14+,31-24+,33-26+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/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	34	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay				Bioorg Med Chem Lett 4: 921-926 (1994) Article DOI: 10.1016/S0960-894X(01)80264-X BindingDB Entry DOI: 10.7270/Q2HD7VMG
					More data for this Ligand-Target Pair