Compile Data Set for Download or QSAR

Found 6685 hits with Last Name = 'hu' and Initial = 'cw'   

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
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212159 (2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...) Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202351 (US9238619, 70) Show SMILES CN1CCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C24H30N4O3S/c1-27-13-11-24(18-27,16-20-7-4-3-5-8-20)21-9-6-10-22(15-21)31-14-12-26-32(29,30)23-17-28(2)19-25-23/h3-10,15,17,19,26H,11-14,16,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202353 (US9238619, 72) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CN(CCF)C1 Show InChI InChI=1S/C24H29FN4O3S/c1-28-16-23(26-19-28)33(30,31)27-11-13-32-22-9-5-8-21(14-22)24(17-29(18-24)12-10-25)15-20-6-3-2-4-7-20/h2-9,14,16,19,27H,10-13,15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202356 (US9238619, 73) Show SMILES COCCN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C25H32N4O4S/c1-28-17-24(26-20-28)34(30,31)27-11-13-33-23-10-6-9-22(15-23)25(16-21-7-4-3-5-8-21)18-29(19-25)12-14-32-2/h3-10,15,17,20,27H,11-14,16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202358 (US9238619, 75) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CCF)C1 Show InChI InChI=1S/C25H31FN4O3S/c1-29-18-24(27-20-29)34(31,32)28-12-15-33-23-9-5-8-22(16-23)25(10-13-30(19-25)14-11-26)17-21-6-3-2-4-7-21/h2-9,16,18,20,28H,10-15,17,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202359 (US9238619, 76) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CC(C)(C)C)C1 Show InChI InChI=1S/C28H38N4O3S/c1-27(2,3)20-32-15-13-28(21-32,18-23-9-6-5-7-10-23)24-11-8-12-25(17-24)35-16-14-30-36(33,34)26-19-31(4)22-29-26/h5-12,17,19,22,30H,13-16,18,20-21H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202361 (US9238619, 78) Show SMILES CN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C23H28N4O3S/c1-26-15-22(24-18-26)31(28,29)25-11-12-30-21-10-6-9-20(13-21)23(16-27(2)17-23)14-19-7-4-3-5-8-19/h3-10,13,15,18,25H,11-12,14,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202314 (US9238619, 50) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1 Show InChI InChI=1S/C22H26N4O3S/c1-26-15-21(14-24-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(16-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,14-15,23,25H,10-11,13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202238 (US9238619, 3) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1 Show InChI InChI=1S/C21H25FN4O3S/c1-26-15-19(14-24-26)30(27,28)25-9-10-29-21-12-17(7-8-20(21)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202239 (US9238619, 4) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1 Show InChI InChI=1S/C21H25FN4O3S/c1-26-14-21(24-15-26)30(27,28)25-9-10-29-20-12-17(7-8-19(20)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202240 (US9238619, 5) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c1-25-15-21(23-16-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202241 (US9238619, 6) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c1-25-16-21(15-23-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202247 (US9238619, 10) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O3S/c1-29-15-21(14-27-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202249 (US9238619, 12) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O3S/c1-29-14-21(27-15-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202260 (US9238619, 18) Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C(CN)Cc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c1-24-15-20(14-22-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202265 (US9238619, 23) Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cn(C)cn2)ccc1F Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)15-19(13-18-7-5-4-6-8-18)21-14-20(9-10-22(21)24)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,19,26H,11-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202266 (US9238619, 24) Show SMILES CN(C)CC(Cc1ccccc1)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1 Show InChI InChI=1S/C23H30N4O3S/c1-26(2)17-21(14-19-8-5-4-6-9-19)20-10-7-11-22(15-20)30-13-12-25-31(28,29)23-16-24-27(3)18-23/h4-11,15-16,18,21,25H,12-14,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202271 (US9238619, 29) Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C24H29F3N4O3S/c1-30(2)15-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-16-31(3)17-28-23/h4-9,13-14,16-17,20,29H,10-12,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202272 (US9238619, 30) Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1Cl Show InChI InChI=1S/C23H29ClN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202274 (US9238619, 32) Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)15-20(13-18-7-5-4-6-8-18)19-9-10-21(24)22(14-19)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,20,26H,11-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202275 (US9238619, 33) Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1F Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202270 (US9238619, 28) Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1 Show InChI InChI=1S/C24H29F3N4O3S/c1-30(2)16-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-15-28-31(3)17-23/h4-9,13-15,17,20,29H,10-12,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202273 (US9238619, 31) Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1 Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202315 (US9238619, 51) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1 Show InChI InChI=1S/C22H26N4O3S/c1-26-14-21(24-17-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(15-23-16-22)13-18-6-3-2-4-7-18/h2-9,12,14,17,23,25H,10-11,13,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202335 (US9238619, 60) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C23H28N4O3S/c1-27-17-22(16-25-27)31(28,29)26-12-13-30-21-9-5-8-20(14-21)23(10-11-24-18-23)15-19-6-3-2-4-7-19/h2-9,14,16-17,24,26H,10-13,15,18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202341 (US9238619, 63) Show SMILES CN1CCCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1 Show InChI InChI=1S/C25H32N4O3S/c1-28-14-7-12-25(20-28,17-21-8-4-3-5-9-21)22-10-6-11-23(16-22)32-15-13-27-33(30,31)24-18-26-29(2)19-24/h3-6,8-11,16,18-19,27H,7,12-15,17,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202348 (US9238619, 67) Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H26N4O2S/c1-26-16-21(15-24-26)29(27,28)25-14-19-8-5-9-20(12-19)22(10-11-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,15-16,23,25H,10-11,13-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202337 (US9238619, 62) Show SMILES CN1CCCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C25H32N4O3S/c1-28-14-7-12-25(19-28,17-21-8-4-3-5-9-21)22-10-6-11-23(16-22)32-15-13-27-33(30,31)24-18-29(2)20-26-24/h3-6,8-11,16,18,20,27H,7,12-15,17,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202336 (US9238619, 61) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C23H28N4O3S/c1-27-16-22(25-18-27)31(28,29)26-12-13-30-21-9-5-8-20(14-21)23(10-11-24-17-23)15-19-6-3-2-4-7-19/h2-9,14,16,18,24,26H,10-13,15,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202316 (US9238619, 52) Show SMILES CN1CC(Cc2ccccc2)(C1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C23H27FN4O3S/c1-27-14-22(25-17-27)32(29,30)26-10-11-31-21-12-19(8-9-20(21)24)23(15-28(2)16-23)13-18-6-4-3-5-7-18/h3-9,12,14,17,26H,10-11,13,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM202334 (US9238619, 59) Show SMILES O=S(=O)(CC1CC1)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C23H30N2O3S/c26-29(27,17-20-9-10-20)25-13-14-28-22-8-4-7-21(15-22)23(11-12-24-18-23)16-19-5-2-1-3-6-19/h1-8,15,20,24-25H,9-14,16-18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...				US Patent US9238619 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T6F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50175484 (3-[2-(4-isoquinolin-8-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccncc34)c(=O)c21 Show InChI InChI=1S/C25H28N6OS/c1-28-8-6-19-22(16-28)33-24-23(19)25(32)31(17-27-24)14-11-29-9-12-30(13-10-29)21-4-2-3-18-5-7-26-15-20(18)21/h2-5,7,15,17H,6,8-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228930 ((E)-2-(6-chloro-benzo[b]thiophen-2-yl)-ethenesulfo...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:17.18| Show InChI InChI=1S/C27H22ClFN2O5S3/c1-38(33,34)26-5-3-2-4-21(26)17-7-9-24(22(29)15-17)31-12-10-23(27(31)32)30-39(35,36)13-11-20-14-18-6-8-19(28)16-25(18)37-20/h2-9,11,13-16,23,30H,10,12H2,1H3/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human F10a by fluorescence assay				Bioorg Med Chem Lett 18: 23-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.023 BindingDB Entry DOI: 10.7270/Q2SX6CZF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) Show SMILES C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3| Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM144227 (US8952008, 4) Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.180	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]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...				J Med Chem 62: 5773-5796 (2019) Article DOI: 10.1021/acs.jmedchem.9b00322 BindingDB Entry DOI: 10.7270/Q2HQ437D
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50572134 (CHEMBL4868363) Show SMILES Cc1cc2c(cnc(NC3CCN(CC3)C(=O)C(F)CN)c2[nH]c1=O)C1=CCOCC1 |t:28| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00294 BindingDB Entry DOI: 10.7270/Q21V5JRX
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212157 (6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50175479 (7-methyl-3-[2-(4-quinolin-8-yl-piperazin-1-yl)-eth...) Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cccnc34)c(=O)c21 Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-21(16-28)33-24-22(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)20-6-2-4-18-5-3-8-26-23(18)20/h2-6,8,17H,7,9-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [35S]GTPgammaS from human recombinant 5HT1A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228950 ((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |w:17.18| Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human F10a by fluorescence assay				Bioorg Med Chem Lett 18: 23-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.023 BindingDB Entry DOI: 10.7270/Q2SX6CZF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19964 (6-(4-hydroxyphenyl)-5-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO3/c32-25-9-6-23(7-10-25)28-14-8-24-21-26(33)11-15-29(24)30(28)20-22-4-12-27(13-5-22)34-19-18-31-16-2-1-3-17-31/h4-15,21,32-33H,1-3,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.200	-54.8	n/a	n/a	1.14	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212149 (6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212160 (3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	-54.3	n/a	n/a	3.18	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212157 (6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair

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