BDBM50538002 CHEMBL1233907

SMILES: CCOc1ccccc1Sc1ccc(cc1[N+]([O-])=O)-c1ccnc(c1)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=GKGJFUXSTSUKPB-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50538002   

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 beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50538002 (CHEMBL1233907) Show SMILES CCOc1ccccc1Sc1ccc(cc1[N+]([O-])=O)-c1ccnc(c1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H26N4O4S/c1-3-33-22-6-4-5-7-24(22)34-23-9-8-19(16-21(23)29(31)32)20-10-11-26-25(17-20)28-14-12-27(13-15-28)18(2)30/h4-11,16-17H,3,12-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human lymphocyte integrin alphaL beta2 (Cys125 to Gly311residues) expressed in Escherichia coli XL-1B cells by isothermal titrati...				J Med Chem 63: 5675-5696 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)