null

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=FJFPGDXPRWHTPR-HDQYJMDWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50464580   

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
MHC class II antigen (Homo sapiens (Human))	BDBM50464580 (CHEMBL4277461) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C76H124N22O21/c1-12-40(10)59(70(113)92-58(39(8)9)69(112)94-60(41(11)99)74(117)97-28-16-20-50(97)64(107)85-44(75(118)119)18-13-25-83-76(80)81)93-63(106)46(32-53(78)100)86-62(105)45(30-36(2)3)87-65(108)49-19-15-27-96(49)73(116)52-22-17-29-98(52)71(114)47(31-42-34-82-35-84-42)89-67(110)56(37(4)5)91-68(111)57(38(6)7)90-66(109)51-21-14-26-95(51)72(115)48(33-54(79)101)88-61(104)43(77)23-24-55(102)103/h34-41,43-52,56-60,99H,12-33,77H2,1-11H3,(H2,78,100)(H2,79,101)(H,82,84)(H,85,107)(H,86,105)(H,87,108)(H,88,104)(H,89,110)(H,90,109)(H,91,111)(H,92,113)(H,93,106)(H,94,112)(H,102,103)(H,118,119)(H4,80,81,83)/t40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*0101 mutant allele after 2 hrs by TMB + substrate-chromogen based as...				Eur J Med Chem 143: 621-631 (2018) Article DOI: 10.1016/j.ejmech.2017.11.063 BindingDB Entry DOI: 10.7270/Q2NP273D
					More data for this Ligand-Target Pair
MHC class II antigen (Homo sapiens (Human))	BDBM50464580 (CHEMBL4277461) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C76H124N22O21/c1-12-40(10)59(70(113)92-58(39(8)9)69(112)94-60(41(11)99)74(117)97-28-16-20-50(97)64(107)85-44(75(118)119)18-13-25-83-76(80)81)93-63(106)46(32-53(78)100)86-62(105)45(30-36(2)3)87-65(108)49-19-15-27-96(49)73(116)52-22-17-29-98(52)71(114)47(31-42-34-82-35-84-42)89-67(110)56(37(4)5)91-68(111)57(38(6)7)90-66(109)51-21-14-26-95(51)72(115)48(33-54(79)101)88-61(104)43(77)23-24-55(102)103/h34-41,43-52,56-60,99H,12-33,77H2,1-11H3,(H2,78,100)(H2,79,101)(H,82,84)(H,85,107)(H,86,105)(H,87,108)(H,88,104)(H,89,110)(H,90,109)(H,91,111)(H,92,113)(H,93,106)(H,94,112)(H,102,103)(H,118,119)(H4,80,81,83)/t40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*1501 mutant allele after 2 hrs by TMB + substrate-chromogen based as...				Eur J Med Chem 143: 621-631 (2018) Article DOI: 10.1016/j.ejmech.2017.11.063 BindingDB Entry DOI: 10.7270/Q2NP273D
					More data for this Ligand-Target Pair