BDBM50033061 27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-30-propyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CHEMBL384726

SMILES: CCC[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](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)[C@H](CO)N(C)C1=O)C(C)C

InChI Key: InChIKey=UVAZRAAUMKLNAN-INJCWPFZSA-N

Data: 3 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 3 hits for monomerid = 50033061   

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))	BDBM50033061 (27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl...) Show SMILES CCC[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](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)[C@H](CO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O13/c1-25-27-29-41(15)53(77)52-57(81)67-44(28-26-2)59(83)73(22)49(34-76)62(86)69(18)46(31-36(5)6)56(80)68-50(39(11)12)63(87)70(19)45(30-35(3)4)55(79)65-42(16)54(78)66-43(17)58(82)71(20)47(32-37(7)8)60(84)72(21)48(33-38(9)10)61(85)74(23)51(40(13)14)64(88)75(52)24/h25,27,35-53,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42-,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against cyclophilin A by rotamase assay				J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79
					More data for this Ligand-Target Pair
Interleukin-2 (Mus musculus)	BDBM50033061 (27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl...) Show SMILES CCC[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](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)[C@H](CO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O13/c1-25-27-29-41(15)53(77)52-57(81)67-44(28-26-2)59(83)73(22)49(34-76)62(86)69(18)46(31-36(5)6)56(80)68-50(39(11)12)63(87)70(19)45(30-35(3)4)55(79)65-42(16)54(78)66-43(17)58(82)71(20)47(32-37(7)8)60(84)72(21)48(33-38(9)10)61(85)74(23)51(40(13)14)64(88)75(52)24/h25,27,35-53,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42-,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)				J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50033061 (27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl...) Show SMILES CCC[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](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)[C@H](CO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O13/c1-25-27-29-41(15)53(77)52-57(81)67-44(28-26-2)59(83)73(22)49(34-76)62(86)69(18)46(31-36(5)6)56(80)68-50(39(11)12)63(87)70(19)45(30-35(3)4)55(79)65-42(16)54(78)66-43(17)58(82)71(20)47(32-37(7)8)60(84)72(21)48(33-38(9)10)61(85)74(23)51(40(13)14)64(88)75(52)24/h25,27,35-53,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42-,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against cyclophilin A by ELISA				J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79
					More data for this Ligand-Target Pair