BDBM50123744 6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacont-2-yl)-6-hydroxy-5-methyl-hex-2-enoic acid 2-fluoro-ethyl ester::CHEMBL413883

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

InChI Key: InChIKey=FEOSFEYEHGZTJO-JHAZVACUSA-N

Data: 1 IC50

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 = 50123744   

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
Protein phosphatase 3 catalytic subunit alpha (Homo sapiens (Human))	BDBM50123744 (6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopr...) Show SMILES CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C(=O)OCCF)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@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C Show InChI InChI=1S/C64H112FN11O14/c1-24-44-60(85)70(17)34-49(77)71(18)45(30-35(2)3)57(82)69-51(39(10)11)63(88)72(19)46(31-36(4)5)56(81)66-42(15)55(80)67-43(16)59(84)73(20)47(32-37(6)7)61(86)74(21)48(33-38(8)9)62(87)75(22)52(40(12)13)64(89)76(23)53(58(83)68-44)54(79)41(14)26-25-27-50(78)90-29-28-65/h25,27,35-48,51-54,79H,24,26,28-34H2,1-23H3,(H,66,81)(H,67,80)(H,68,83)(H,69,82)/b27-25+/t41-,42-,43+,44-,45+,46-,47+,48+,51+,52-,53+,54-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay				J Med Chem 46: 674-6 (2003) Article DOI: 10.1021/jm025595i BindingDB Entry DOI: 10.7270/Q2QJ7GNM
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