BDBM300940 US10131658, Compound 208

SMILES: Cc1cnc(NCCCC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)c(C)c1

InChI Key: InChIKey=UXCIVWRENWMDLO-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 = 300940   

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))	BDBM300940 (US10131658, Compound 208) Show SMILES Cc1cnc(NCCCC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)c(C)c1 |r| Show InChI InChI=1S/C31H37N5O6S/c1-21-18-22(2)29(33-20-21)32-16-6-11-28(37)34-24-14-12-23(13-15-24)19-26(31(39)40)35-30(38)27-10-7-17-36(27)43(41,42)25-8-4-3-5-9-25/h3-5,8-9,12-15,18,20,26-27H,6-7,10-11,16-17,19H2,1-2H3,(H,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
					More data for this Ligand-Target Pair