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BDBM50282773 CHEMBL418618::Macrocyclic FK506 derivative

SMILES: CCC[C@H](\C=C(/C)C[C@H](C)C[C@H](OC)C1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C(C)C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC)C(C)=O

InChI Key: InChIKey=BAWGQDOHWBVYTP-QXOOQEALSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282773   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50282773
PNG
(CHEMBL418618 | Macrocyclic FK506 derivative)
Show SMILES CCC[C@H](\C=C(/C)C[C@H](C)C[C@H](OC)C1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C(C)C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC)C(C)=O
Show InChI InChI=1S/C44H73NO11/c1-12-15-33(31(8)46)21-27(4)20-28(5)22-37(53-10)40-38(54-11)24-30(7)44(51,56-40)41(48)42(49)45-19-14-13-16-34(45)43(50)55-39(26(2)3)29(6)23-32-17-18-35(47)36(25-32)52-9/h21,23,26,28,30,32-40,47,51H,12-20,22,24-25H2,1-11H3/b27-21+,29-23+/t28-,30+,32-,33+,34-,35+,36+,37-,38-,39-,40?,44+/m0/s1
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Similars
Article
 400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards immunophilin cytosolic protein FK506 binding protein 12 was determined

Bioorg Med Chem Lett 4: 1581-1584 (1994)


Article DOI: 10.1016/S0960-894X(01)80570-9
BindingDB Entry DOI: 10.7270/Q2Z31ZKX
More data for this
Ligand-Target Pair