BDBM300935 US10131658, Compound 93

SMILES: NC(=N)NC(=O)CCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=KRRAGDWAJLZINA-PMACEKPBSA-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 = 300935   

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))	BDBM300935 (US10131658, Compound 93) Show SMILES NC(=N)NC(=O)CCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H30N6O7S/c26-25(27)30-22(33)13-12-21(32)28-17-10-8-16(9-11-17)15-19(24(35)36)29-23(34)20-7-4-14-31(20)39(37,38)18-5-2-1-3-6-18/h1-3,5-6,8-11,19-20H,4,7,12-15H2,(H,28,32)(H,29,34)(H,35,36)(H4,26,27,30,33)/t19-,20-/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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