Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'weir' and Initial = 'hm'   

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))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.138	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50084948 (CHEMBL195515 | GW7604) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.145	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.209	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.209	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells in presence of 0.25 uM tamoxifen				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.282	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263148 (CHEMBL476578 | N-((R)-1-(4-(5-fluoro-4-(1-isopropy...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC[C@H](C2)NC(C)=O)ncc1F |r| Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)25-12-21(31)22-20(24)11-26-23(29-22)28-17-5-7-19(8-6-17)30-10-9-18(13-30)27-16(4)32/h5-8,11-12,14,18H,9-10,13H2,1-4H3,(H,27,32)(H,26,28,29)/t18-/m1/s1	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	>0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.417	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263147 (CHEMBL476577 | N-(1-(4-(5-fluoro-4-(1-isopropyl-2-...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC(C2)NC(C)=O)ncc1F Show InChI InChI=1S/C22H26FN7O/c1-13(2)30-14(3)24-10-20(30)21-19(23)9-25-22(28-21)27-16-5-7-18(8-6-16)29-11-17(12-29)26-15(4)31/h5-10,13,17H,11-12H2,1-4H3,(H,26,31)(H,25,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.813	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.832	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.851	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263028 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246350 (4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)22-11-17(27)18-16(21)10-23-20(25-18)24-15-8-6-14(7-9-15)19(28)26(4)5/h6-12H,1-5H3,(H,23,24,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246301 (4-(4-(1-cyclopentyl-2-methyl-1H-imidazol-5-yl)pyri...) Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1 Show InChI InChI=1S/C21H24N6O/c1-14-24-13-19(27(14)17-5-3-4-6-17)18-11-12-23-21(26-18)25-16-9-7-15(8-10-16)20(28)22-2/h7-13,17H,3-6H2,1-2H3,(H,22,28)(H,23,25,26)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246298 (CHEMBL487067 | N-(2-hydroxyethyl)-4-(4-(1-isopropy...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1 Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-14(3)23-12-18(26)17-8-9-22-20(25-17)24-16-6-4-15(5-7-16)19(28)21-10-11-27/h4-9,12-13,27H,10-11H2,1-3H3,(H,21,28)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246447 (2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F Show InChI InChI=1S/C20H22F2N6O/c1-11(2)28-12(3)23-10-17(28)18-16(22)9-24-20(26-18)25-13-6-7-14(15(21)8-13)19(29)27(4)5/h6-11H,1-5H3,(H,24,25,26)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7657 (4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...) Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246255 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246349 (4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)22-10-16(26)17-15(20)9-23-19(25-17)24-14-7-5-13(6-8-14)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,23,24,25)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50025069 (CHEMBL485425) Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50025068 (CHEMBL484555) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1 Show InChI InChI=1S/C22H28N6O3S/c1-16-24-15-21(28(16)18-5-3-4-6-18)20-11-12-23-22(27-20)26-17-7-9-19(10-8-17)32(29,30)25-13-14-31-2/h7-12,15,18,25H,3-6,13-14H2,1-2H3,(H,23,26,27)	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7672 (4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...) Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263068 (CHEMBL477785 | N-(4-(4-(2-(dimethylamino)ethylsulf...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1 Show InChI InChI=1S/C25H36N8O2S/c1-19(2)33-20(3)27-18-24(33)23-10-11-26-25(29-23)28-21-6-8-22(9-7-21)31-12-14-32(15-13-31)36(34,35)17-16-30(4)5/h6-11,18-19H,12-17H2,1-5H3,(H,26,28,29)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263026 (CHEMBL478407 | N-(4-fluorophenyl)-4-(1-isopropyl-2...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(F)cc2)n1 Show InChI InChI=1S/C17H18FN5/c1-11(2)23-12(3)20-10-16(23)15-8-9-19-17(22-15)21-14-6-4-13(18)5-7-14/h4-11H,1-3H3,(H,19,21,22)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246254 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1 Show InChI InChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50041611 ((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274698 (4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-...) Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1 Show InChI InChI=1S/C19H24N6O3S/c1-4-25-14(2)21-13-18(25)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)22-11-12-28-3/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,23,24)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274662 (4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...) Show SMILES CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C21H28N6O3S/c1-15(2)30-13-5-11-24-31(28,29)18-8-6-17(7-9-18)25-21-22-12-10-19(26-21)20-14-23-16(3)27(20)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3,(H,22,25,26)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263112 (1-(4-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imida...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F Show InChI InChI=1S/C23H28FN7O2/c1-15(2)31-16(3)25-13-20(31)22-19(24)12-26-23(28-22)27-17-4-6-18(7-5-17)29-8-10-30(11-9-29)21(33)14-32/h4-7,12-13,15,32H,8-11,14H2,1-3H3,(H,26,27,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin E/CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246397 (2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1 Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)23-11-18(27)17-8-9-22-20(25-17)24-14-6-7-15(16(21)10-14)19(28)26(4)5/h6-12H,1-5H3,(H,22,24,25)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084948 (CHEMBL195515 | GW7604) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50262981 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-met...) Show SMILES COc1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C18H21N5O/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(24-4)8-6-14/h5-12H,1-4H3,(H,19,21,22)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7674 (CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1 Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274661 (4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C18H22N6O3S/c1-13-20-12-17(24(13)2)16-8-9-19-18(23-16)22-14-4-6-15(7-5-14)28(25,26)21-10-11-27-3/h4-9,12,21H,10-11H2,1-3H3,(H,19,22,23)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246256 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1 Show InChI InChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263146 (5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-15(3)23-13-19(28)20-18(22)12-24-21(26-20)25-16-4-6-17(7-5-16)27-8-10-29-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,24,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274625 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(pr...) Show SMILES CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C20H25N5O2S/c1-5-12-28(26,27)17-8-6-16(7-9-17)23-20-21-11-10-18(24-20)19-13-22-15(4)25(19)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,21,23,24)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair

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