Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'schoeffter' and Initial = 'p'   

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
G_PROTEIN_RECEP_F1_2 domain-containing protein (PIG)	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 350: 356-60 (1994) Article DOI: 10.1007/bf00178951 BindingDB Entry DOI: 10.7270/Q2K35S5K
					More data for this Ligand-Target Pair
G_PROTEIN_RECEP_F1_2 domain-containing protein (PIG)	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 350: 356-60 (1994) Article DOI: 10.1007/bf00178951 BindingDB Entry DOI: 10.7270/Q2K35S5K
					More data for this Ligand-Target Pair
G_PROTEIN_RECEP_F1_2 domain-containing protein (PIG)	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 350: 356-60 (1994) Article DOI: 10.1007/bf00178951 BindingDB Entry DOI: 10.7270/Q2K35S5K
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20625 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	0.0200	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20625 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	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	12	n/a	0.0600	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	0.0200	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	0.0700	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	17	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20629 (2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol ...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	32	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20636 (2-(4-hydroxy-2-methylphenyl)-1-benzothiophen-6-ol ...) Show SMILES Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12O2S/c1-9-6-11(16)4-5-13(9)15-7-10-2-3-12(17)8-14(10)18-15/h2-8,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	15	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	4.10	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20633 (4-(6-hydroxy-1-benzothiophen-2-yl)benzene-1,2-diol...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H10O3S/c15-10-3-1-9-6-13(18-14(9)7-10)8-2-4-11(16)12(17)5-8/h1-7,15-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	249	n/a	525	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM20636 (2-(4-hydroxy-2-methylphenyl)-1-benzothiophen-6-ol ...) Show SMILES Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12O2S/c1-9-6-11(16)4-5-13(9)15-7-10-2-3-12(17)8-14(10)18-15/h2-8,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	48	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17289 ((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	0.700	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20624 ((1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	570	n/a	1.5	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20634 (2-(3-hydroxyphenyl)-1-benzothiophen-6-ol | benzthi...) Show SMILES Oc1cccc(c1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-3-1-2-9(6-11)13-7-10-4-5-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	245	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20629 (2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol ...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	138	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17289 ((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	2.10	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20624 ((1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.23E+3	n/a	4.5	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50248347 (3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.41E+3	n/a	50	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20630 (2-(4-hydroxy-3-methylphenyl)-1-benzothiophen-6-ol ...) Show SMILES Cc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12O2S/c1-9-6-10(3-5-13(9)17)14-7-11-2-4-12(16)8-15(11)18-14/h2-8,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	302	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20634 (2-(3-hydroxyphenyl)-1-benzothiophen-6-ol | benzthi...) Show SMILES Oc1cccc(c1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-3-1-2-9(6-11)13-7-10-4-5-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	269	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20630 (2-(4-hydroxy-3-methylphenyl)-1-benzothiophen-6-ol ...) Show SMILES Cc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12O2S/c1-9-6-10(3-5-13(9)17)14-7-11-2-4-12(16)8-15(11)18-14/h2-8,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+3	n/a	148	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20626 (2-phenyl-1-benzothiophen-6-ol | benzthiophene comp...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccccc1 Show InChI InChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.71E+3	n/a	209	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.92E+3	n/a	48	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM20632 (2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol ...) Show SMILES CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	186	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20626 (2-phenyl-1-benzothiophen-6-ol | benzthiophene comp...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccccc1 Show InChI InChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.31E+3	n/a	166	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20631 (2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol |...) Show SMILES CCc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C16H14O2S/c1-2-10-7-11(4-6-14(10)18)15-8-12-3-5-13(17)9-16(12)19-15/h3-9,17-18H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.71E+3	n/a	257	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20633 (4-(6-hydroxy-1-benzothiophen-2-yl)benzene-1,2-diol...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H10O3S/c15-10-3-1-9-6-13(18-14(9)7-10)8-2-4-11(16)12(17)5-8/h1-7,15-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+3	n/a	363	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50312945 ((4-(3,4-difluorophenyl)piperazin-1-yl)((4S,4aS,8aR...) Show SMILES COc1ccc(C[C@H](C)CN2C[C@@H]3CCCC[C@@H]3[C@@H](C2)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)cn1 |r| Show InChI InChI=1S/C30H40F2N4O2/c1-21(15-22-7-10-29(38-2)33-17-22)18-34-19-23-5-3-4-6-25(23)26(20-34)30(37)36-13-11-35(12-14-36)24-8-9-27(31)28(32)16-24/h7-10,16-17,21,23,25-26H,3-6,11-15,18-20H2,1-2H3/t21-,23-,25-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 1728-34 (2010) Article DOI: 10.1016/j.bmcl.2010.01.063 BindingDB Entry DOI: 10.7270/Q2VM4CD1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20631 (2-(3-ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol |...) Show SMILES CCc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C16H14O2S/c1-2-10-7-11(4-6-14(10)18)15-8-12-3-5-13(17)9-16(12)19-15/h3-9,17-18H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.44E+3	n/a	191	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20637 (2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-...) Show SMILES Oc1cc(O)c2cc(sc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.47E+3	n/a	>1.00E+3	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20637 (2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-...) Show SMILES Oc1cc(O)c2cc(sc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	1.00E+3	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20635 (1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phe...) Show SMILES CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	>1.00E+3	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50248555 (3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O2/c1-32(14-12-22-23-6-2-4-8-27(23)36-28-9-5-3-7-24(22)28)15-13-29(35)34-18-16-33(17-19-34)21-10-11-25(30)26(31)20-21/h2-11,20,22H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50248555 (3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O2/c1-32(14-12-22-23-6-2-4-8-27(23)36-28-9-5-3-7-24(22)28)15-13-29(35)34-18-16-33(17-19-34)21-10-11-25(30)26(31)20-21/h2-11,20,22H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50248555 (3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O2/c1-32(14-12-22-23-6-2-4-8-27(23)36-28-9-5-3-7-24(22)28)15-13-29(35)34-18-16-33(17-19-34)21-10-11-25(30)26(31)20-21/h2-11,20,22H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50248347 (3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20638 (2-(4-hydroxy-3-methylphenyl)-1-benzothiophene-4,6-...) Show SMILES Cc1cc(ccc1O)-c1cc2c(O)cc(O)cc2s1 Show InChI InChI=1S/C15H12O3S/c1-8-4-9(2-3-12(8)17)14-7-11-13(18)5-10(16)6-15(11)19-14/h2-7,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	>1.00E+3	n/a	n/a	n/a	25
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50248347 (3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20632 (2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol ...) Show SMILES CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	162	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20627 (2-(4-methylphenyl)-1-benzothiophen-6-ol | benzthio...) Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	174	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20627 (2-(4-methylphenyl)-1-benzothiophen-6-ol | benzthio...) Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	178	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20635 (1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phe...) Show SMILES CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	>1.00E+3	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20638 (2-(4-hydroxy-3-methylphenyl)-1-benzothiophene-4,6-...) Show SMILES Cc1cc(ccc1O)-c1cc2c(O)cc(O)cc2s1 Show InChI InChI=1S/C15H12O3S/c1-8-4-9(2-3-12(8)17)14-7-11-13(18)5-10(16)6-15(11)19-14/h2-7,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	>1.00E+3	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50248347 (3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (RAT)	BDBM50423295 (CHEMBL251751) Show SMILES CN1C[C@@H](C[C@@H]2Cc3c(C[C@@H]12)cccc3OC(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C30H38N4O6/c1-30(2,3)40-29(36)39-27-7-5-6-20-18-26-21(17-25(20)27)16-22(19-31(26)4)28(35)33-14-12-32(13-15-33)23-8-10-24(11-9-23)34(37)38/h5-11,21-22,26H,12-19H2,1-4H3/t21-,22-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 215 total )  |  Next  |  Last  >>

Jump to: