BDBM50070605 (S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-N-((1S,2R)-1-carbamoyl-2-hydroxy-propyl)-succinamic acid::CHEMBL289974

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

InChI Key: InChIKey=SRTYXIOHCTZURC-BQUSMCMVSA-N

Data: 1 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 1 hit for monomerid = 50070605   

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
Mucosal addressin cell adhesion molecule-1 (Homo sapiens (Human))	BDBM50070605 ((S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C16H28N4O7/c1-7(2)5-10(18-9(4)22)15(26)19-11(6-12(23)24)16(27)20-13(8(3)21)14(17)25/h7-8,10-11,13,21H,5-6H2,1-4H3,(H2,17,25)(H,18,22)(H,19,26)(H,20,27)(H,23,24)/t8-,10+,11+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The concentration of compound required to prevent 50 percent of cells from adhering to MAdCAM-1				Bioorg Med Chem Lett 7: 711-714 (1997) Article DOI: 10.1016/S0960-894X(97)00090-5 BindingDB Entry DOI: 10.7270/Q2V40V77
					More data for this Ligand-Target Pair