BDBM50283513 (3R,4R,28aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2-(pyridin-3-yl)ethyl]-1H,3H,4H,5H,6H,7H,8H,11H,12H,14H,16H,17H,18H,19H,20H,22H,23H,25H,26H,27H,28H,28aH-pyrido[1,2-l]1,3,9,15-tetraoxa-12-azacyclopentacosan-1,7,14,16,19,20,22,23-octone::CHEMBL405977

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

InChI Key: InChIKey=DYKUGYCPZHKIRJ-BFEADGNNSA-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 = 50283513   

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))	BDBM50283513 ((3R,4R,28aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C36H44N2O12/c1-4-8-26-21-23(2)17-20-47-36(46)49-31(41)16-14-29(40)34(44)50-35(45)32(42)38-19-6-5-10-27(38)33(43)48-30(24(3)11-13-28(26)39)15-12-25-9-7-18-37-22-25/h4,7,9,18,21-22,24,26-27,30H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,30-/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	5.50E+3	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