null

SMILES: Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12

InChI Key: InChIKey=VREIRRHIFCOWDQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277096   

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-V (Homo sapiens (Human))	BDBM50277096 (3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12 Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Binding affinity to human integrin alphavbeta3 receptor by TRF assay				Bioorg Med Chem Lett 19: 352-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.074 BindingDB Entry DOI: 10.7270/Q2N016C9
					More data for this Ligand-Target Pair
Integrin alpha-IIb (Homo sapiens (Human))	BDBM50277096 (3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12 Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Binding affinity to human integrin alpha2beta3 receptor by TRF assay				Bioorg Med Chem Lett 19: 352-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.074 BindingDB Entry DOI: 10.7270/Q2N016C9
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50277096 (3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12 Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Binding affinity to human integrin alphavbeta5 receptor by TRF assay				Bioorg Med Chem Lett 19: 352-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.074 BindingDB Entry DOI: 10.7270/Q2N016C9
					More data for this Ligand-Target Pair