BDBM50289280 CHEMBL309641::[(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-(4-methoxy-phenyl)-ethyl]-carbamic acid ethyl ester

SMILES: CCOC(=O)N[C@H](Cc1ccc(OC)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=LTPMXDWCOMDZDY-MVWVFHAYSA-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 = 50289280   

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))	BDBM50289280 (CHEMBL309641 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamo...) Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC)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/C27H43N5O7/c1-8-39-27(37)31-21(14-18-9-11-19(38-7)12-10-18)25(35)32-22(16(4)5)26(36)29-17(6)24(34)30-20(23(28)33)13-15(2)3/h9-12,15-17,20-22H,8,13-14H2,1-7H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t17-,20-,21+,22-/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	180	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))	BDBM50289280 (CHEMBL309641 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamo...) Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC)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/C27H43N5O7/c1-8-39-27(37)31-21(14-18-9-11-19(38-7)12-10-18)25(35)32-22(16(4)5)26(36)29-17(6)24(34)30-20(23(28)33)13-15(2)3/h9-12,15-17,20-22H,8,13-14H2,1-7H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t17-,20-,21+,22-/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	46	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