BDBM300941 US10131658, Compound 209

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC(=N)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=PAXYMJSURQLQAW-SVBPBHIXSA-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 = 300941   

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))	BDBM300941 (US10131658, Compound 209) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC(=N)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H35N5O6S/c32-29(23-9-3-1-4-10-23)33-19-7-14-28(37)34-24-17-15-22(16-18-24)21-26(31(39)40)35-30(38)27-13-8-20-36(27)43(41,42)25-11-5-2-6-12-25/h1-6,9-12,15-18,26-27H,7-8,13-14,19-21H2,(H2,32,33)(H,34,37)(H,35,38)(H,39,40)/t26-,27-/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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