BDBM50289284 (S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarbonylamino-propionyl)-methyl-amino]-5-guanidino-pentanoylamino}-propionylamino)-3-methyl-butyric acid::CHEMBL309211

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

InChI Key: InChIKey=JRRPMZOCQGEYNP-HOSILWTGSA-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 = 50289284   

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))	BDBM50289284 ((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...) Show SMILES CCOC(=O)N[C@H](C)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)=O Show InChI InChI=1S/C22H40N8O8/c1-6-38-22(37)27-12(4)19(34)30(5)14(8-7-9-26-21(24)25)18(33)28-13(10-15(23)31)17(32)29-16(11(2)3)20(35)36/h11-14,16H,6-10H2,1-5H3,(H2,23,31)(H,27,37)(H,28,33)(H,29,32)(H,35,36)(H4,24,25,26)/t12-,13+,14+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.80E+4	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
HLA class II histocompatibility antigen DRB1-1 (Homo sapiens (Human))	BDBM50289284 ((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...) Show SMILES CCOC(=O)N[C@H](C)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)=O Show InChI InChI=1S/C22H40N8O8/c1-6-38-22(37)27-12(4)19(34)30(5)14(8-7-9-26-21(24)25)18(33)28-13(10-15(23)31)17(32)29-16(11(2)3)20(35)36/h11-14,16H,6-10H2,1-5H3,(H2,23,31)(H,27,37)(H,28,33)(H,29,32)(H,35,36)(H4,24,25,26)/t12-,13+,14+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	8.90E+3	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