null

SMILES: CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O

InChI Key: InChIKey=GJFAJAHCWGSYHL-GYXROJBQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50296943   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/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	n/a	n/a	17	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-MB-453 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene ...				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mineralocorticoid receptor				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of progesterone receptor				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/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	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cells				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50296943 (16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-me...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid receptor				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair