BDBM50284197 (E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(E)-2-((1R,3R,4R)-3-Allyloxy-4-hydroxy-cyclohexyl)-1-methyl-vinyl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone::CHEMBL170544

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)OCC=C

InChI Key: InChIKey=OIXIUKSEXGGDAU-MZXXYLFESA-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 = 50284197   

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))	BDBM50284197 ((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...) 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)OCC=C |c:3| Show InChI InChI=1S/C45H71NO12/c1-10-18-56-37-24-31(15-16-34(37)47)22-28(5)40-30(7)35(48)25-36(49)32(11-2)20-26(3)19-27(4)21-38(54-8)41-39(55-9)23-29(6)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40/h10,20,22,27,29-35,37-41,47-48,53H,1,11-19,21,23-25H2,2-9H3/b26-20+,28-22+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/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	2.70	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