BDBM50289254 ((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethyl)-carbamic acid ethyl ester::CHEMBL80428

SMILES: CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=VHGFDTMMPXZRAF-HCUBDLJJSA-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 = 50289254   

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))	BDBM50289254 (((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...) Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H39N5O6/c1-5-40-29(39)33-23(17-21-14-10-7-11-15-21)27(37)34-24(18(2)3)28(38)31-19(4)26(36)32-22(25(30)35)16-20-12-8-6-9-13-20/h6-15,18-19,22-24H,5,16-17H2,1-4H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,39)(H,34,37)/t19-,22-,23-,24-/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	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...				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))	BDBM50289254 (((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...) Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H39N5O6/c1-5-40-29(39)33-23(17-21-14-10-7-11-15-21)27(37)34-24(18(2)3)28(38)31-19(4)26(36)32-22(25(30)35)16-20-12-8-6-9-13-20/h6-15,18-19,22-24H,5,16-17H2,1-4H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,39)(H,34,37)/t19-,22-,23-,24-/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	920	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