null

SMILES: Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12

InChI Key: InChIKey=AGJHDEIJXGZDRQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277097   

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))	BDBM50277097 (3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12 Show InChI InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)	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	370	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))	BDBM50277097 (3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12 Show InChI InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)	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))	BDBM50277097 (3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...) Show SMILES Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12 Show InChI InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)	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	4.30E+3	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