null

SMILES: COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O

InChI Key: InChIKey=PMZAMOSBWUCNBG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50141354   

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/beta-1 (Homo sapiens (Human))	BDBM50141354 (CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...) Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141354 (CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...) Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141354 (CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...) Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50141354 (CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...) Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50141354 (CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...) Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	772	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair