Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'nevin' and Initial = 'dk'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50544819 (CHEMBL4648351) Show SMILES CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7| Show InChI InChI=1S/C26H32N2O5/c1-26(2,3)33-25(30)23-22(20-11-8-18(29)16-21(20)32-24(23)27)17-6-9-19(10-7-17)31-15-14-28-12-4-5-13-28/h6-11,16,22,29H,4-5,12-15,27H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544815 (CHEMBL4643184) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:4| Show InChI InChI=1S/C23H26N2O5/c1-28-23(27)21-20(18-9-6-16(26)14-19(18)30-22(21)24)15-4-7-17(8-5-15)29-13-12-25-10-2-3-11-25/h4-9,14,20,26H,2-3,10-13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544821 (CHEMBL4646092) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:5| Show InChI InChI=1S/C25H30N2O5/c1-2-30-25(29)23-22(20-11-8-18(28)16-21(20)32-24(23)26)17-6-9-19(10-7-17)31-15-14-27-12-4-3-5-13-27/h6-11,16,22,28H,2-5,12-15,26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544818 (CHEMBL4647229) Show SMILES CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7| Show InChI InChI=1S/C26H32N2O5/c1-2-3-15-32-26(30)24-23(21-11-8-19(29)17-22(21)33-25(24)27)18-6-9-20(10-7-18)31-16-14-28-12-4-5-13-28/h6-11,17,23,29H,2-5,12-16,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544823 (CHEMBL4643337) Show SMILES CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7| Show InChI InChI=1S/C27H34N2O5/c1-2-3-16-33-27(31)25-24(22-12-9-20(30)18-23(22)34-26(25)28)19-7-10-21(11-8-19)32-17-15-29-13-5-4-6-14-29/h7-12,18,24,30H,2-6,13-17,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544820 (CHEMBL4647279) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:4| Show InChI InChI=1S/C24H28N2O5/c1-29-24(28)22-21(19-10-7-17(27)15-20(19)31-23(22)25)16-5-8-18(9-6-16)30-14-13-26-11-3-2-4-12-26/h5-10,15,21,27H,2-4,11-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544821 (CHEMBL4646092) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:5| Show InChI InChI=1S/C25H30N2O5/c1-2-30-25(29)23-22(20-11-8-18(28)16-21(20)32-24(23)26)17-6-9-19(10-7-17)31-15-14-27-12-4-3-5-13-27/h6-11,16,22,28H,2-5,12-15,26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at ERalpha (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544824 (CHEMBL4644899) Show SMILES CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7| Show InChI InChI=1S/C27H34N2O5/c1-27(2,3)34-26(31)24-23(21-12-9-19(30)17-22(21)33-25(24)28)18-7-10-20(11-8-18)32-16-15-29-13-5-4-6-14-29/h7-12,17,23,30H,4-6,13-16,28H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Binding affinity to B-RAF kinase (unknown origin)				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Competitive binding affinity to B-RAF kinase (unknown origin) after 60 to 120 mins by FRET analysis				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at ERbeta (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544820 (CHEMBL4647279) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:4| Show InChI InChI=1S/C24H28N2O5/c1-29-24(28)22-21(19-10-7-17(27)15-20(19)31-23(22)25)16-5-8-18(9-6-16)30-14-13-26-11-3-2-4-12-26/h5-10,15,21,27H,2-4,11-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544826 (CHEMBL4645341) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCOCC2)cc1 |c:5| Show InChI InChI=1S/C24H28N2O6/c1-2-30-24(28)22-21(19-8-5-17(27)15-20(19)32-23(22)25)16-3-6-18(7-4-16)31-14-11-26-9-12-29-13-10-26/h3-8,15,21,27H,2,9-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544815 (CHEMBL4643184) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:4| Show InChI InChI=1S/C23H26N2O5/c1-28-23(27)21-20(18-9-6-16(26)14-19(18)30-22(21)24)15-4-7-17(8-5-15)29-13-12-25-10-2-3-11-25/h4-9,14,20,26H,2-3,10-13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544824 (CHEMBL4644899) Show SMILES CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7| Show InChI InChI=1S/C27H34N2O5/c1-27(2,3)34-26(31)24-23(21-12-9-19(30)17-22(21)33-25(24)28)18-7-10-20(11-8-18)32-16-15-29-13-5-4-6-14-29/h7-12,17,23,30H,4-6,13-16,28H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50449019 (CHEMBL1603587) Show SMILES CCOC(=O)C1C(c2ccccc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15-16,19-20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544825 (CHEMBL4643970) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCOCC2)cc1 |c:4| Show InChI InChI=1S/C23H26N2O6/c1-28-23(27)21-20(18-7-4-16(26)14-19(18)31-22(21)24)15-2-5-17(6-3-15)30-13-10-25-8-11-29-12-9-25/h2-7,14,20,26H,8-13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544819 (CHEMBL4648351) Show SMILES CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7| Show InChI InChI=1S/C26H32N2O5/c1-26(2,3)33-25(30)23-22(20-11-8-18(29)16-21(20)32-24(23)27)17-6-9-19(10-7-17)31-15-14-28-12-4-5-13-28/h6-11,16,22,29H,4-5,12-15,27H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544813 (CHEMBL4647883) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(O)cc1 |c:4| Show InChI InChI=1S/C17H15NO5/c1-22-17(21)15-14(9-2-4-10(19)5-3-9)12-7-6-11(20)8-13(12)23-16(15)18/h2-8,14,19-20H,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544817 (CHEMBL4637677) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C22H23N3O3/c23-14-19-21(18-8-5-16(26)13-20(18)28-22(19)24)15-3-6-17(7-4-15)27-12-11-25-9-1-2-10-25/h3-8,13,21,26H,1-2,9-12,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544816 (CHEMBL4645668) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:5| Show InChI InChI=1S/C24H28N2O5/c1-2-29-24(28)22-21(19-10-7-17(27)15-20(19)31-23(22)25)16-5-8-18(9-6-16)30-14-13-26-11-3-4-12-26/h5-10,15,21,27H,2-4,11-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544822 (CHEMBL4636096) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C23H25N3O3/c24-15-20-22(19-9-6-17(27)14-21(19)29-23(20)25)16-4-7-18(8-5-16)28-13-12-26-10-2-1-3-11-26/h4-9,14,22,27H,1-3,10-13,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544811 (CHEMBL4637118) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1 |c:4| Show InChI InChI=1S/C17H15NO4/c1-21-17(20)15-14(10-5-3-2-4-6-10)12-8-7-11(19)9-13(12)22-16(15)18/h2-9,14,19H,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544823 (CHEMBL4643337) Show SMILES CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7| Show InChI InChI=1S/C27H34N2O5/c1-2-3-16-33-27(31)25-24(22-12-9-20(30)18-23(22)34-26(25)28)19-7-10-21(11-8-19)32-17-15-29-13-5-4-6-14-29/h7-12,18,24,30H,2-6,13-17,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50449019 (CHEMBL1603587) Show SMILES CCOC(=O)C1C(c2ccccc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15-16,19-20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544826 (CHEMBL4645341) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCOCC2)cc1 |c:5| Show InChI InChI=1S/C24H28N2O6/c1-2-30-24(28)22-21(19-8-5-17(27)15-20(19)32-23(22)25)16-3-6-18(7-4-16)31-14-11-26-9-12-29-13-10-26/h3-8,15,21,27H,2,9-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544816 (CHEMBL4645668) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:5| Show InChI InChI=1S/C24H28N2O5/c1-2-29-24(28)22-21(19-10-7-17(27)15-20(19)31-23(22)25)16-5-8-18(9-6-16)30-14-13-26-11-3-4-12-26/h5-10,15,21,27H,2-4,11-14,25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544811 (CHEMBL4637118) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1 |c:4| Show InChI InChI=1S/C17H15NO4/c1-21-17(20)15-14(10-5-3-2-4-6-10)12-8-7-11(19)9-13(12)22-16(15)18/h2-9,14,19H,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544818 (CHEMBL4647229) Show SMILES CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7| Show InChI InChI=1S/C26H32N2O5/c1-2-3-15-32-26(30)24-23(21-11-8-19(29)17-22(21)33-25(24)27)18-6-9-20(10-7-18)31-16-14-28-12-4-5-13-28/h6-11,17,23,29H,2-5,12-16,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544812 (CHEMBL370458) Show SMILES NC1=C(C#N)C(c2ccccc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C16H12N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h1-8,15,19H,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544817 (CHEMBL4637677) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C22H23N3O3/c23-14-19-21(18-8-5-16(26)13-20(18)28-22(19)24)15-3-6-17(7-4-15)27-12-11-25-9-1-2-10-25/h3-8,13,21,26H,1-2,9-12,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544812 (CHEMBL370458) Show SMILES NC1=C(C#N)C(c2ccccc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C16H12N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h1-8,15,19H,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544813 (CHEMBL4647883) Show SMILES COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(O)cc1 |c:4| Show InChI InChI=1S/C17H15NO5/c1-22-17(21)15-14(9-2-4-10(19)5-3-9)12-7-6-11(20)8-13(12)23-16(15)18/h2-8,14,19-20H,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544822 (CHEMBL4636096) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C23H25N3O3/c24-15-20-22(19-9-6-17(27)14-21(19)29-23(20)25)16-4-7-18(8-5-16)28-13-12-26-10-2-1-3-11-26/h4-9,14,22,27H,1-3,10-13,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544827 (CHEMBL4646745) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C22H23N3O4/c23-14-19-21(18-6-3-16(26)13-20(18)29-22(19)24)15-1-4-17(5-2-15)28-12-9-25-7-10-27-11-8-25/h1-6,13,21,26H,7-12,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544814 (CHEMBL4637537) Show SMILES CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCc2ccccc2)cc1 |c:5| Show InChI InChI=1S/C25H23NO5/c1-2-29-25(28)23-22(20-13-10-18(27)14-21(20)31-24(23)26)17-8-11-19(12-9-17)30-15-16-6-4-3-5-7-16/h3-14,22,27H,2,15,26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incuba...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50544827 (CHEMBL4646745) Show SMILES NC1=C(C#N)C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(O)cc2O1 |c:1| Show InChI InChI=1S/C22H23N3O4/c23-14-19-21(18-6-3-16(26)13-20(18)29-22(19)24)15-1-4-17(5-2-15)28-12-9-25-7-10-27-11-8-25/h1-6,13,21,26H,7-12,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubat...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115261 BindingDB Entry DOI: 10.7270/Q2WD4457
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50019428 (CHEMBL3290696) Show SMILES Cl.NC(=N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)cc1 Show InChI InChI=1S/C21H18ClF3N6O.ClH/c22-18-9-6-14(11-17(18)21(23,24)25)31-20(28)30-13-2-1-3-16(10-13)32-15-7-4-12(5-8-15)29-19(26)27;/h1-11H,(H4,26,27,29)(H3,28,30,31);1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant casein kinase-1 delta using casein as substrate after 60 mins by kinase-glo luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50019429 (CHEMBL3290697) Show SMILES Cl.NC(=N)Nc1ccc(Cc2cccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)cc1 Show InChI InChI=1S/C22H20ClF3N6.ClH/c23-19-9-8-17(12-18(19)22(24,25)26)32-21(29)31-16-3-1-2-14(11-16)10-13-4-6-15(7-5-13)30-20(27)28;/h1-9,11-12H,10H2,(H4,27,28,30)(H3,29,31,32);1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant casein kinase-1 delta using casein as substrate after 60 mins by kinase-glo luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50019432 (CHEMBL3290698) Show SMILES Cl.CC(=O)Nc1cccc(Oc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C22H18ClF3N4O2.ClH/c1-13(31)28-15-3-2-4-18(11-15)32-17-8-5-14(6-9-17)29-21(27)30-16-7-10-20(23)19(12-16)22(24,25)26;/h2-12H,1H3,(H,28,31)(H3,27,29,30);1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant casein kinase-1 delta using casein as substrate after 60 mins by kinase-glo luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50019436 (CHEMBL3290699) Show SMILES Cl.CC(=O)Nc1cccc(Nc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C22H19ClF3N5O.ClH/c1-13(32)28-16-3-2-4-17(11-16)29-14-5-7-15(8-6-14)30-21(27)31-18-9-10-20(23)19(12-18)22(24,25)26;/h2-12,29H,1H3,(H,28,32)(H3,27,30,31);1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant casein kinase-1 delta using casein as substrate after 60 mins by kinase-glo luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019437 (CHEMBL3290430) Show SMILES Cl.NC(=N)Nc1ccc(Oc2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C14H16N6O.ClH/c15-13(16)19-9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)20-14(17)18;/h1-8H,(H4,15,16,19)(H4,17,18,20);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019441 (CHEMBL3290431) Show SMILES Cl.NC(=N)Nc1ccc(Oc2cccc(NC(N)=N)c2)cc1 Show InChI InChI=1S/C14H16N6O.ClH/c15-13(16)19-9-4-6-11(7-5-9)21-12-3-1-2-10(8-12)20-14(17)18;/h1-8H,(H4,15,16,19)(H4,17,18,20);1H	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019442 (CHEMBL3290432) Show SMILES Cl.NC(=N)Nc1ccc(cc1)C(=O)c1cccc(NC(N)=N)c1 Show InChI InChI=1S/C15H16N6O.ClH/c16-14(17)20-11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)21-15(18)19;/h1-8H,(H4,16,17,20)(H4,18,19,21);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019444 (CHEMBL3290433) Show SMILES Cl.NC(=N)Nc1ccc(Cc2cccc(NC(N)=N)c2)cc1 Show InChI InChI=1S/C15H18N6.ClH/c16-14(17)20-12-6-4-10(5-7-12)8-11-2-1-3-13(9-11)21-15(18)19;/h1-7,9H,8H2,(H4,16,17,20)(H4,18,19,21);1H	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019445 (CHEMBL3290434) Show SMILES Cl.NC(=N)Nc1ccc(Nc2cccc(NC(N)=N)c2)cc1 Show InChI InChI=1S/C14H17N7.ClH/c15-13(16)20-10-6-4-9(5-7-10)19-11-2-1-3-12(8-11)21-14(17)18;/h1-8,19H,(H4,15,16,20)(H4,17,18,21);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50019446 (CHEMBL3290435) Show SMILES Cl.C1CN=C(Nc2ccc(Oc3cccc(NC4=NCCN4)c3)cc2)N1 |t:2,16| Show InChI InChI=1S/C18H20N6O.ClH/c1-2-14(24-18-21-10-11-22-18)12-16(3-1)25-15-6-4-13(5-7-15)23-17-19-8-9-20-17;/h1-7,12H,8-11H2,(H2,19,20,23)(H2,21,22,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay				Eur J Med Chem 81: 427-41 (2014) Article DOI: 10.1016/j.ejmech.2014.05.025 BindingDB Entry DOI: 10.7270/Q2K075VT
					More data for this Ligand-Target Pair

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