BDBM50283511 (1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-1-yl)-16-[2-(pyridin-3-yl)ethyl]-5,15,26,28,33-pentaoxa-8-azatricyclo[28.2.1.0^{8,13}]tritriacont-22-ene-2,3,4,6,7,14,20,27,29-nonone::CHEMBL82458

SMILES: C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1

InChI Key: InChIKey=XUOVVQYQLMBNHH-YFGNSSCOSA-N

Data: 1 Kd

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 = 50283511   

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))	BDBM50283511 ((1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C39H46N2O14/c1-4-8-26-21-23(2)17-20-51-39(50)55-36(47)31-16-15-30(52-31)32(43)33(44)37(48)54-38(49)34(45)41-19-6-5-10-27(41)35(46)53-29(24(3)11-13-28(26)42)14-12-25-9-7-18-40-22-25/h4,7,9,18,21-22,24,26-27,29-31H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,29-,30-,31?/m1/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	400	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair