BDBM50340640 CHEMBL4160559

SMILES: CCN1C(=O)CC(SC[C@@H]2NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C[C@H](NC(=O)CNC2=O)C(O)=O)C1=O

InChI Key: InChIKey=JXVRJGNYHMYCDJ-FLIBITNWSA-N

Data: 1 KI

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 = 50340640   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50340640 (CHEMBL4160559) Show SMILES CCN1C(=O)CC(SC[C@@H]2NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C[C@H](NC(=O)CNC2=O)C(O)=O)C1=O |r| Show InChI InChI=1S/C16H11NO4/c18-13-6-5-9(7-15(13)20)14(19)8-11-10-3-1-2-4-12(10)17-16(11)21/h1-8,18,20H,(H,17,21)/b11-8-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRCCS Ospedale San Raffaele Curated by ChEMBL					Assay Description Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...				J Med Chem 61: 7474-7485 (2018) Article DOI: 10.1021/acs.jmedchem.8b00745 BindingDB Entry DOI: 10.7270/Q2SJ1P55
					More data for this Ligand-Target Pair