BDBM50538005 CHEMBL4645996

SMILES: CC1(C)SCN([C@@H]1C(=O)NC(CNC(=O)NCc1ccccc1)C(O)=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=XKLHCUGVLCGKKX-MUMRKEEXSA-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 = 50538005   

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
Integrin alpha2/beta1 (Homo sapiens (Human))	BDBM50538005 (CHEMBL4645996) Show SMILES CC1(C)SCN([C@@H]1C(=O)NC(CNC(=O)NCc1ccccc1)C(O)=O)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics Curated by ChEMBL					Assay Description Inhibition of human alpha2 beta1 in human platelets assessed as reduction in platelet adhesion to collagen type 1 incubated for 30 mins				J Med Chem 63: 5675-5696 (2020)
					More data for this Ligand-Target Pair