BDBM50323716 2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R,E)-1-hydroxy-2-methylhex-4-enyl)-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)methoxy)-N-(4-((E)-phenyldiazenyl)phenyl)acetamide::CHEMBL1213209

SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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=CYAPGJRJAMPCRD-RHXFXPMFSA-N

Data: 4 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 4 hits for monomerid = 50323716   

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))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 |r| Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/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	n/a	n/a	4.75	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 |r| Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte...				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 |r| Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 |r| Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/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	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Binding affinity to streptavidin-coupled biotin-labeled cyclophilin 18 assessed as reduction in [33P] phosphatase activity of calcineurin by protease...				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair