Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'samp' and Initial = 'l'   

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
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341309 (CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341309 (CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341312 ((1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...) Show SMILES CC(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341311 ((+/-)-isopropyl 8-(5-methyl-6-(2-methylpyridin-3-y...) Show SMILES CC(C)OC(=O)N1CC2COC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341313 ((1S,5S,8S)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...) Show SMILES CC(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0953	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused VDR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lac...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM398047 (US10322118, Entry 5) Show SMILES NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.103	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused TRbeta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
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	0.107	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as ...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM18660 ((10S,11S,14S,15S)-14,15-dimethyl-14-propanoyltetra...) Show SMILES [H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:15,21| Show InChI InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.236	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused PR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lact...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused androgen receptor (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells as...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21| Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.305	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase t...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					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	0.579	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as b...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused GR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lact...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50085041 (2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused PPARdelta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells asses...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50466088 (CHEMBL4293810) Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using luciferin-H as substrate preincubated for 10 mins followed by NADPH regeneration system addition and meas...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50051829 (4-methyl-2-oxo-2H-chromen-7-yl sulfamate | CHEMBL1...) Show SMILES Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12 Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50466088 (CHEMBL4293810) Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using luciferin-IPA as substrate preincubated for 10 mins followed by NADPH regeneration system addition and me...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50466088 (CHEMBL4293810) Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using luciferin-ME EGE as substrate preincubated for 10 mins followed by NADPH regeneration system addition and...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098109 (3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...) Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50112406 (CHEMBL24063 | Sulfamic acid 3-iodo-phenyl ester) Show SMILES NS(=O)(=O)Oc1cccc(I)c1 Show InChI InChI=1S/C6H6INO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50466088 (CHEMBL4293810) Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using luciferin-ME as substrate preincubated for 10 mins followed by NADPH regeneration system addition and mea...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098099 (CHEMBL23306 | Sulfamic acid 3-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1cccc(c1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-2-1-3-7(4-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098104 (CHEMBL23305 | Sulfamic acid 3-bromo-phenyl ester) Show SMILES NS(=O)(=O)Oc1cccc(Br)c1 Show InChI InChI=1S/C6H6BrNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098105 (CHEMBL23258 | Sulfamic acid 4-nitro-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098103 (4-fluorophenyl sulfamate | CHEMBL23865 | Sulfamic ...) Show SMILES NS(=O)(=O)Oc1ccc(F)cc1 Show InChI InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098100 (CHEMBL282717 | Sulfamic acid 3-chloro-phenyl ester) Show SMILES NS(=O)(=O)Oc1cccc(Cl)c1 Show InChI InChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50112403 (CHEMBL24120 | Sulfamic acid 4-iodo-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(I)cc1 Show InChI InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50112404 (CHEMBL23067 | Sulfamic acid 2,2,2-trichloro-ethyl ...) Show SMILES NS(=O)(=O)OCC(Cl)(Cl)Cl Show InChI InChI=1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098108 (CHEMBL283121 | Sulfamic acid 4-bromo-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(Br)cc1 Show InChI InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098102 (CHEMBL23350 | Sulfamic acid 4-chloro-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098107 (CHEMBL287279 | Sulfamic acid m-tolyl ester) Show SMILES Cc1cccc(OS(N)(=O)=O)c1 Show InChI InChI=1S/C7H9NO3S/c1-6-3-2-4-7(5-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.08E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098112 (CHEMBL23864 | Sulfamic acid 3-fluoro-phenyl ester) Show SMILES NS(=O)(=O)Oc1cccc(F)c1 Show InChI InChI=1S/C6H6FNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.08E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098106 (CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...) Show SMILES NS(=O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098101 (CHEMBL24210 | Sulfamic acid p-tolyl ester) Show SMILES Cc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341309 (CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat GPR119 expressed in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	228	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat GPR119 expressed in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Rattus norvegicus)	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	227	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat GPR119 expressed in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341311 ((+/-)-isopropyl 8-(5-methyl-6-(2-methylpyridin-3-y...) Show SMILES CC(C)OC(=O)N1CC2COC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341312 ((1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...) Show SMILES CC(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341313 ((1S,5S,8S)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...) Show SMILES CC(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341309 (CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50341310 (CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...) Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay				J Med Chem 54: 1948-52 (2011) Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50466084 (CHEMBL3099433) Show SMILES OC[C@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair

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