BDBM300932 US10131658, Compound 203

SMILES: NC(=N)Nc1cccc(CC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)c1

InChI Key: InChIKey=JAOWQBOCFOQCBA-DQEYMECFSA-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 = 300932   

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 alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM300932 (US10131658, Compound 203) Show SMILES NC(=N)Nc1cccc(CC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H32N6O6S/c30-29(31)33-22-7-4-6-20(16-22)18-26(36)32-21-13-11-19(12-14-21)17-24(28(38)39)34-27(37)25-10-5-15-35(25)42(40,41)23-8-2-1-3-9-23/h1-4,6-9,11-14,16,24-25H,5,10,15,17-18H2,(H,32,36)(H,34,37)(H,38,39)(H4,30,31,33)/t24-,25-/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	<10	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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