BDBM50289252 (S)-2-((S)-2-{(S)-2-[(S)-2-(3-Ethyl-ureido)-3-phenyl-propionylamino]-3-methyl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid amide::CHEMBL81463

SMILES: CCNC(=O)N[C@@H](Cc1ccccc1)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=XBTXEXFVFNLRSA-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 = 50289252   

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))	BDBM50289252 ((S)-2-((S)-2-{(S)-2-[(S)-2-(3-Ethyl-ureido)-3-phen...) Show SMILES CCNC(=O)N[C@@H](Cc1ccccc1)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/C26H42N6O5/c1-7-28-26(37)31-20(14-18-11-9-8-10-12-18)24(35)32-21(16(4)5)25(36)29-17(6)23(34)30-19(22(27)33)13-15(2)3/h8-12,15-17,19-21H,7,13-14H2,1-6H3,(H2,27,33)(H,29,36)(H,30,34)(H,32,35)(H2,28,31,37)/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	290	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))	BDBM50289252 ((S)-2-((S)-2-{(S)-2-[(S)-2-(3-Ethyl-ureido)-3-phen...) Show SMILES CCNC(=O)N[C@@H](Cc1ccccc1)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/C26H42N6O5/c1-7-28-26(37)31-20(14-18-11-9-8-10-12-18)24(35)32-21(16(4)5)25(36)29-17(6)23(34)30-19(22(27)33)13-15(2)3/h8-12,15-17,19-21H,7,13-14H2,1-6H3,(H2,27,33)(H,29,36)(H,30,34)(H,32,35)(H2,28,31,37)/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	22	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