BDBM50064366 2-{4-[2-(17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-en-12-yl)-propenyl]-2-methoxy-cyclohexyloxy}-N-(4-trifluoromethyl-phenyl)-acetamide::CHEMBL274090

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\C1CC[C@@H](OCC(=O)Nc2ccc(cc2)C(F)(F)F)[C@@H](C1)OC

InChI Key: InChIKey=YOQFXGNGHYNJDP-LILDRPETSA-N

Data: 1 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 1 hit for monomerid = 50064366   

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))	BDBM50064366 (2-{4-[2-(17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-1...) 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\C1CC[C@@H](OCC(=O)Nc2ccc(cc2)C(F)(F)F)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H75F3N2O13/c1-10-35-22-29(2)21-30(3)23-43(66-8)47-44(67-9)25-32(5)51(64,70-47)48(61)49(62)57-20-12-11-13-38(57)50(63)69-46(33(6)39(58)27-40(35)59)31(4)24-34-14-19-41(42(26-34)65-7)68-28-45(60)56-37-17-15-36(16-18-37)52(53,54)55/h15-18,22,24,30,32-35,38-39,41-44,46-47,58,64H,10-14,19-21,23,25-28H2,1-9H3,(H,56,60)/b29-22+,31-24+/t30-,32+,33+,34?,35+,38-,39-,41+,42+,43-,44-,46+,47+,51+/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 PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory binding activity against human Immunophilin-FK506 binding protein 12				J Med Chem 41: 1764-76 (1998) Article DOI: 10.1021/jm960066y BindingDB Entry DOI: 10.7270/Q2319V0N
					More data for this Ligand-Target Pair