BDBM50289258 (S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarbonylamino-3-naphthalen-1-yl-propionyl)-methyl-amino]-5-guanidino-pentanoylamino}-propionylamino)-3-methyl-butyric acid methyl ester::CHEMBL80447

SMILES: CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key: InChIKey=WEAHFODXINKIKT-SFIUMABJSA-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 = 50289258   

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))	BDBM50289258 ((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...) Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/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	16	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))	BDBM50289258 ((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...) Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/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	140	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