Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'aguilo' and Initial = 'f'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189696 (CHEMBL3827924) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cc(C)c(NC(N)=O)c(C)c2)c1OC Show InChI InChI=1S/C24H30N4O6/c1-15-12-17(13-16(2)21(15)26-24(25)31)34-14-20(29)27-8-10-28(11-9-27)23(30)18-6-5-7-19(32-3)22(18)33-4/h5-7,12-13H,8-11,14H2,1-4H3,(H3,25,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189699 (CHEMBL3827834) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2ccc(NC(N)=O)c(C)c2)c1OC Show InChI InChI=1S/C23H28N4O6/c1-15-13-16(7-8-18(15)25-23(24)30)33-14-20(28)26-9-11-27(12-10-26)22(29)17-5-4-6-19(31-2)21(17)32-3/h4-8,13H,9-12,14H2,1-3H3,(H3,24,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189697 (CHEMBL3827733) Show SMILES CCS(=O)(=O)Nc1c(C)cc(OCC(=O)N2CCN(CC2)C(=O)c2cccc(OC)c2OC)cc1C Show InChI InChI=1S/C25H33N3O7S/c1-6-36(31,32)26-23-17(2)14-19(15-18(23)3)35-16-22(29)27-10-12-28(13-11-27)25(30)20-8-7-9-21(33-4)24(20)34-5/h7-9,14-15,26H,6,10-13,16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189698 (CHEMBL3827336) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cc(C)c(N)c(C)c2)c1OC Show InChI InChI=1S/C23H29N3O5/c1-15-12-17(13-16(2)21(15)24)31-14-20(27)25-8-10-26(11-9-25)23(28)18-6-5-7-19(29-3)22(18)30-4/h5-7,12-13H,8-11,14,24H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189711 (CHEMBL3827805) Show SMILES CCS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cccc(OC)c2OC)cc1C Show InChI InChI=1S/C24H31N3O7S/c1-5-35(30,31)25-20-10-9-18(15-17(20)2)34-16-22(28)26-11-13-27(14-12-26)24(29)19-7-6-8-21(32-3)23(19)33-4/h6-10,15,25H,5,11-14,16H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189780 (CHEMBL3827954) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1OC Show InChI InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189762 (CHEMBL3827451) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2ccc(N)c(C)c2)c1OC Show InChI InChI=1S/C22H27N3O5/c1-15-13-16(7-8-18(15)23)30-14-20(26)24-9-11-25(12-10-24)22(27)17-5-4-6-19(28-2)21(17)29-3/h4-8,13H,9-12,14,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189780 (CHEMBL3827954) Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1OC Show InChI InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/F...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189695 (CHEMBL1198405) Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/F...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50189695 (CHEMBL1198405) Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells by HSQC/NMR titrat...				ACS Med Chem Lett 7: 601-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00042 BindingDB Entry DOI: 10.7270/Q28054JT
					More data for this Ligand-Target Pair				3D Structure (crystal)