BDBM50150948 12-Ethyl-3-(1-hydroxy-ethyl)-15-(1-hydroxy-2-methyl-hex-4-enyl)-6,21,24,33-tetraisobutyl-18-isopropyl-1,3,7,10,16,19,22,25,27,30-decamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CHEMBL413867

SMILES: CC[C@@H]1NC(=O)[C@H](C(O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@](C)(NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)O

InChI Key: InChIKey=ZOKPRYHEWRFNKG-HUNFVPNUSA-N

Data: 1 KI

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 = 50150948   

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 A (Homo sapiens (Human))	BDBM50150948 (12-Ethyl-3-(1-hydroxy-ethyl)-15-(1-hydroxy-2-methy...) Show SMILES CC[C@@H]1NC(=O)[C@H](C(O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@](C)(NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)O Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-39(13)51(76)50-55(80)65-43(26-2)57(82)67(18)33-48(75)68(19)45(30-35(5)6)54(79)66-62(17,42(16)74)61(86)71(22)44(29-34(3)4)53(78)63-40(14)52(77)64-41(15)56(81)69(20)46(31-36(7)8)58(83)70(21)47(32-37(9)10)59(84)72(23)49(38(11)12)60(85)73(50)24/h25,27,34-47,49-51,74,76H,26,28-33H2,1-24H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/b27-25+/t39-,40+,41-,42?,43+,44+,45-,46-,47+,49+,50+,51?,62-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of cyclophilin A rotamase				Bioorg Med Chem Lett 14: 4549-51 (2004) Article DOI: 10.1016/j.bmcl.2004.06.028 BindingDB Entry DOI: 10.7270/Q2WH2QQQ
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