BDBM50289283 Acetic acid 4-((R)-2-{(S)-1-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-ethoxycarbonylamino-ethyl)-phenyl ester::CHEMBL80527

SMILES: CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=XMWWJROHHGSQSU-QMZRJTEUSA-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 = 50289283   

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
Human leukocyte antigen DR beta chain (Homo sapiens (Human))	BDBM50289283 (Acetic acid 4-((R)-2-{(S)-1-[(S)-1-((S)-1-carbamoy...) Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C28H43N5O8/c1-8-40-28(39)32-22(14-19-9-11-20(12-10-19)41-18(7)34)26(37)33-23(16(4)5)27(38)30-17(6)25(36)31-21(24(29)35)13-15(2)3/h9-12,15-17,21-23H,8,13-14H2,1-7H3,(H2,29,35)(H,30,38)(H,31,36)(H,32,39)(H,33,37)/t17-,21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...				Bioorg Med Chem Lett 7: 19-24 (1997) Article DOI: 10.1016/S0960-894X(96)00579-3 BindingDB Entry DOI: 10.7270/Q2Q52PMZ
					More data for this Ligand-Target Pair
HLA class II histocompatibility antigen DRB1-1 (Homo sapiens (Human))	BDBM50289283 (Acetic acid 4-((R)-2-{(S)-1-[(S)-1-((S)-1-carbamoy...) Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C28H43N5O8/c1-8-40-28(39)32-22(14-19-9-11-20(12-10-19)41-18(7)34)26(37)33-23(16(4)5)27(38)30-17(6)25(36)31-21(24(29)35)13-15(2)3/h9-12,15-17,21-23H,8,13-14H2,1-7H3,(H2,29,35)(H,30,38)(H,31,36)(H,32,39)(H,33,37)/t17-,21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...				Bioorg Med Chem Lett 7: 19-24 (1997) Article DOI: 10.1016/S0960-894X(96)00579-3 BindingDB Entry DOI: 10.7270/Q2Q52PMZ
					More data for this Ligand-Target Pair