BDBM50079782 17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-trifluoromethyl-phenyl)-ethoxy]-3-methoxy-cyclohexyl}-1-methyl-vinyl)-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::CHEMBL412791

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](OC[C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC

InChI Key: InChIKey=RDZXZGRTLDZUEK-BLVSPFNSSA-N

Data: 1 IC50  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 2 hits for monomerid = 50079782   

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))	BDBM50079782 (17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-t...) 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](OC[C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H76F3NO13/c1-10-35-21-29(2)20-30(3)22-44(65-8)47-45(66-9)24-32(5)51(63,69-47)48(60)49(61)56-19-12-11-16-38(56)50(62)68-46(33(6)39(57)27-40(35)58)31(4)23-34-17-18-42(43(25-34)64-7)67-28-41(59)36-14-13-15-37(26-36)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-47,57,59,63H,10-12,16-20,22,24-25,27-28H2,1-9H3/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39+,41-,42+,43+,44-,45-,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	PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506				Bioorg Med Chem Lett 9: 2089-94 (1999) BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079782 (17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-t...) 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](OC[C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H76F3NO13/c1-10-35-21-29(2)20-30(3)22-44(65-8)47-45(66-9)24-32(5)51(63,69-47)48(60)49(61)56-19-12-11-16-38(56)50(62)68-46(33(6)39(57)27-40(35)58)31(4)23-34-17-18-42(43(25-34)64-7)67-28-41(59)36-14-13-15-37(26-36)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-47,57,59,63H,10-12,16-20,22,24-25,27-28H2,1-9H3/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39+,41-,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair