BDBM50505771 CHEMBL4534088

SMILES: Cc1ccccc1C(=O)N1C(CC(O)=O)CC1=O

InChI Key: InChIKey=QQGUOHQFMOOCJJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50505771   

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
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50505771 (CHEMBL4534088) Show SMILES Cc1ccccc1C(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H13NO4/c1-8-4-2-3-5-10(8)13(18)14-9(6-11(14)15)7-12(16)17/h2-5,9H,6-7H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity to alpha5beta1 integrin receptor (unknown origin) incubated fro 30 mins by competitive solid-phase binding assay				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50505771 (CHEMBL4534088) Show SMILES Cc1ccccc1C(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H13NO4/c1-8-4-2-3-5-10(8)13(18)14-9(6-11(14)15)7-12(16)17/h2-5,9H,6-7H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity to alpha4beta1 integrin receptor (unknown origin) incubated for 1 hr by scintillation proximity binding assay				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50505771 (CHEMBL4534088) Show SMILES Cc1ccccc1C(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H13NO4/c1-8-4-2-3-5-10(8)13(18)14-9(6-11(14)15)7-12(16)17/h2-5,9H,6-7H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	419	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at alpha5beta1 integrin receptor in human K562 cells assessed as reduction in fibronectin-induced cell adhesion pre-incubated for...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50505771 (CHEMBL4534088) Show SMILES Cc1ccccc1C(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H13NO4/c1-8-4-2-3-5-10(8)13(18)14-9(6-11(14)15)7-12(16)17/h2-5,9H,6-7H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta3 integrin receptor (unknown origin) incubated fro 30 mins by competitive solid-phase binding assay				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000
					More data for this Ligand-Target Pair