BDBM50330185 2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R)-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)acetonitrile::CHEMBL1269583

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](CC#N)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=AOJSPTDRNYDUQW-KSISVUKISA-N

Data: 2 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 2 hits for monomerid = 50330185   

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
Cyclophilin B (CypB) (Homo sapiens (Human))	BDBM50330185 (2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...) 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](CC#N)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/C63H110N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-28,30-34H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.45	n/a	n/a	n/a	n/a	n/a	n/a
SCYNEXIS, Inc. Curated by ChEMBL					Assay Description Binding affinity to cyclophilin B by ELISA				Bioorg Med Chem Lett 20: 6542-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.036 BindingDB Entry DOI: 10.7270/Q2M909NJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50330185 (2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...) 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](CC#N)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/C63H110N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-28,30-34H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,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	Article PubMed	n/a	n/a	9.12	n/a	n/a	n/a	n/a	n/a	n/a
SCYNEXIS, Inc. Curated by ChEMBL					Assay Description Binding affinity to cyclophilin A by ELISA				Bioorg Med Chem Lett 20: 6542-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.036 BindingDB Entry DOI: 10.7270/Q2M909NJ
					More data for this Ligand-Target Pair