BDBM50291323 (S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-N-{(1S,2R)-1-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-2-hydroxy-propyl}-succinamic acid::3-{1-[1-(1-carbamoyl-3-methylbutylcarbamoyl)-2-hydroxyethylcarbamoyl]-2-hydroxypropylcarbamoyl}-3-(3-methyl-1-methylcarboxamidobutylcarboxamido)propanoic acid::CHEMBL310968

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

InChI Key: InChIKey=YSKMLHLBAHWLQS-KQFIUFIBSA-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 = 50291323   

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))	BDBM50291323 ((S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C25H44N6O10/c1-11(2)7-15(21(26)37)28-24(40)18(10-32)30-25(41)20(13(5)33)31-23(39)17(9-19(35)36)29-22(38)16(8-12(3)4)27-14(6)34/h11-13,15-18,20,32-33H,7-10H2,1-6H3,(H2,26,37)(H,27,34)(H,28,40)(H,29,38)(H,30,41)(H,31,39)(H,35,36)/t13-,15+,16+,17+,18+,20+/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	2.98E+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