BDBM50323714 CHEMBL1213206::CHEMBL1213210::N-(4-((Z)-(4-(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)acetamido)phenyl)diazenyl)phenyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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=DRYOHQIGNKGEAS-STSUPSDUSA-N

Data: 5 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 5 hits for monomerid = 50323714   

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))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) 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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/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	950	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 cyclophilin 18 assessed as reduction in [33P]phosphatase activity of calcineurin 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))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) 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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	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
calcineurin (Homo sapiens (Human))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) 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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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 streptavidin-coupled NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light ...				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))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) 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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	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 streptavidin-coupled 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
calcineurin (Homo sapiens (Human))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) 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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	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