BDBM50291324 4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-((S)-1-carbamoyl-2-methyl-propylsulfamoyl)-butyric acid::CHEMBL163157

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

InChI Key: InChIKey=SLGFZSMYKCGLSK-MHEXWIEDSA-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 = 50291324   

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))	BDBM50291324 (4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-((...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)NCC(CC(O)=O)S(=O)(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C17H32N4O7S/c1-9(2)6-13(20-11(5)22)17(26)19-8-12(7-14(23)24)29(27,28)21-15(10(3)4)16(18)25/h9-10,12-13,15,21H,6-8H2,1-5H3,(H2,18,25)(H,19,26)(H,20,22)(H,23,24)/t12?,13-,15-/m0/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	2.19E+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