BDBM50289260 (S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-phenyl-2-(toluene-4-sulfonylamino)-propionylamino]-butyrylamino}-propionylamino)-pentanoic acid amide::CHEMBL79025

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O

InChI Key: InChIKey=AYJNZYKVWZZRRP-PZYJALBSSA-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 = 50289260   

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))	BDBM50289260 ((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C30H43N5O6S/c1-18(2)16-24(27(31)36)33-28(37)21(6)32-30(39)26(19(3)4)34-29(38)25(17-22-10-8-7-9-11-22)35-42(40,41)23-14-12-20(5)13-15-23/h7-15,18-19,21,24-26,35H,16-17H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,24-,25-,26-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration to the endothelin A receptor expressed in LtK cells				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))	BDBM50289260 ((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C30H43N5O6S/c1-18(2)16-24(27(31)36)33-28(37)21(6)32-30(39)26(19(3)4)34-29(38)25(17-22-10-8-7-9-11-22)35-42(40,41)23-14-12-20(5)13-15-23/h7-15,18-19,21,24-26,35H,16-17H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,24-,25-,26-/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	1.00E+3	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