BDBM50330183 CHEMBL1269581::N-(3-((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)propyl)pivalamide

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](CCCNC(=O)C(C)(C)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=LURNCMWQTJHIKY-FEVLCNIXSA-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 = 50330183   

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))	BDBM50330183 (CHEMBL1269581 | N-(3-((2R,5S,8S,11S,14S,17S,23S,26...) 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](CCCNC(=O)C(C)(C)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 |r| Show InChI InChI=1S/C69H124N12O13/c1-27-29-31-45(15)57(83)56-61(87)72-47(28-2)62(88)75(20)38-53(82)76(21)49(34-39(3)4)60(86)74-54(43(11)12)66(92)77(22)50(35-40(5)6)59(85)71-46(16)58(84)73-48(32-30-33-70-68(94)69(17,18)19)63(89)78(23)51(36-41(7)8)64(90)79(24)52(37-42(9)10)65(91)80(25)55(44(13)14)67(93)81(56)26/h27,29,39-52,54-57,83H,28,30-38H2,1-26H3,(H,70,94)(H,71,85)(H,72,87)(H,73,84)(H,74,86)/b29-27+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/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	30.5	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))	BDBM50330183 (CHEMBL1269581 | N-(3-((2R,5S,8S,11S,14S,17S,23S,26...) 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](CCCNC(=O)C(C)(C)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 |r| Show InChI InChI=1S/C69H124N12O13/c1-27-29-31-45(15)57(83)56-61(87)72-47(28-2)62(88)75(20)38-53(82)76(21)49(34-39(3)4)60(86)74-54(43(11)12)66(92)77(22)50(35-40(5)6)59(85)71-46(16)58(84)73-48(32-30-33-70-68(94)69(17,18)19)63(89)78(23)51(36-41(7)8)64(90)79(24)52(37-42(9)10)65(91)80(25)55(44(13)14)67(93)81(56)26/h27,29,39-52,54-57,83H,28,30-38H2,1-26H3,(H,70,94)(H,71,85)(H,72,87)(H,73,84)(H,74,86)/b29-27+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/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	26.7	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