BDBM300928 US10131658, Compound 63

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)CCCc2ccc3CCCNc3n2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=TUXAORRGUIOJAM-NSOVKSMOSA-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 = 300928   

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 alpha5beta1 (Homo sapiens (Human))	BDBM300928 (US10131658, Compound 63) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCc2ccc3CCCNc3n2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C32H37N5O6S/c38-29(12-4-8-24-18-15-23-7-5-19-33-30(23)35-24)34-25-16-13-22(14-17-25)21-27(32(40)41)36-31(39)28-11-6-20-37(28)44(42,43)26-9-2-1-3-10-26/h1-3,9-10,13-18,27-28H,4-8,11-12,19-21H2,(H,33,35)(H,34,38)(H,36,39)(H,40,41)/t27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins...				US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q
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