BDBM50289276 (1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2-phenyl-ethyl)-carbamic acid ethyl ester::CHEMBL311245

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]1CCCCNC1=O

InChI Key: InChIKey=HRASMEVMOOSBQO-VMXMFDLUSA-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 = 50289276   

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))	BDBM50289276 ((1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-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]1CCCCNC1=O Show InChI InChI=1S/C26H39N5O6/c1-5-37-26(36)30-20(15-18-11-7-6-8-12-18)24(34)31-21(16(2)3)25(35)28-17(4)22(32)29-19-13-9-10-14-27-23(19)33/h6-8,11-12,16-17,19-21H,5,9-10,13-15H2,1-4H3,(H,27,33)(H,28,35)(H,29,32)(H,30,36)(H,31,34)/t17-,19-,20-,21-/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	12	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))	BDBM50289276 ((1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-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]1CCCCNC1=O Show InChI InChI=1S/C26H39N5O6/c1-5-37-26(36)30-20(15-18-11-7-6-8-12-18)24(34)31-21(16(2)3)25(35)28-17(4)22(32)29-19-13-9-10-14-27-23(19)33/h6-8,11-12,16-17,19-21H,5,9-10,13-15H2,1-4H3,(H,27,33)(H,28,35)(H,29,32)(H,30,36)(H,31,34)/t17-,19-,20-,21-/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	82	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