Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'delle fratte' and Initial = 's'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic Alpha-1B receptor assessed as intracellular calcium luminescence by cell based aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor assessed as intracellular calcium luminescence by cell based aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417376 (CHEMBL1278116) Show SMILES CN(C)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C21H25N/c1-22(2)19-11-12-21(15-19)14-18-9-4-3-7-16(18)13-17-8-5-6-10-20(17)21/h3-10,19H,11-15H2,1-2H3/t19?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330747 ((-)-1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'...) Show SMILES OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t22?,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330752 (3-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330751 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330751 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417355 (CHEMBL1278114) Show SMILES OC(=O)CCNC1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C22H25NO2/c24-21(25)10-12-23-19-9-11-22(15-19)14-18-7-2-1-5-16(18)13-17-6-3-4-8-20(17)22/h1-8,19,23H,9-15H2,(H,24,25)/t19?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330753 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H28FNO2/c26-25(23(28)29)11-13-27(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21H,9-17H2,(H,28,29)/t21?,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416674 (CHEMBL1222626) Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417365 (CHEMBL1278202) Show SMILES CC1(CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O |r| Show InChI InChI=1S/C25H29NO2/c1-24(23(27)28)12-13-26(17-24)21-10-11-25(16-21)15-20-8-3-2-6-18(20)14-19-7-4-5-9-22(19)25/h2-9,21H,10-17H2,1H3,(H,27,28)/t21?,24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416674 (CHEMBL1222626) Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330749 (1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...) Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417366 (CHEMBL1278201) Show SMILES OC(=O)C1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C24H27NO2/c26-23(27)20-10-12-25(16-20)21-9-11-24(15-21)14-19-7-2-1-5-17(19)13-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,26,27)/t20?,21?,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50416676 (CHEMBL1222693) Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417373 (CHEMBL1278020) Show SMILES COC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:4| Show InChI InChI=1S/C26H29NO2/c1-29-25(28)22-10-6-14-27(18-22)23-12-13-26(17-23)16-21-9-3-2-7-19(21)15-20-8-4-5-11-24(20)26/h2-5,7-11,23H,6,12-18H2,1H3/t23?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417369 (CHEMBL1277584) Show SMILES OC(=O)[C@@H]1CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-8,10,21-22H,5,9,11-17H2,(H,27,28)/t21-,22?,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50330750 (CHEMBL1277126) Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,10,19H,9,11-16H2,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416672 (CHEMBL1222624) Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417370 (CHEMBL1277585) Show SMILES OC(=O)CC1CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 Show InChI InChI=1S/C26H31NO2/c28-25(29)15-19-10-13-27(14-11-19)23-9-12-26(18-23)17-22-7-2-1-5-20(22)16-21-6-3-4-8-24(21)26/h1-8,19,23H,9-18H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417375 (CHEMBL1278115) Show SMILES OC(=O)CCNC1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C22H25NO2/c24-21(25)10-12-23-19-9-11-22(15-19)14-18-7-2-1-5-16(18)13-17-6-3-4-8-20(17)22/h1-8,19,23H,9-15H2,(H,24,25)/t19?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416670 (CHEMBL1222554) Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H26N4O2/c1-21(2,20(26)27)15-23-9-11-24(12-10-23)18-13-16-5-3-4-6-17(16)14-25-8-7-22-19(18)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50416679 (CHEMBL1222762) Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50416677 (CHEMBL1222694) Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416673 (CHEMBL1222625) Show SMILES OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13| Show InChI InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417364 (CHEMBL1276859) Show SMILES OC(=O)CC1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)13-18-10-12-26(17-18)22-9-11-25(16-22)15-21-7-2-1-5-19(21)14-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t18?,22?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330752 (3-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50416675 (CHEMBL1222692) Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330753 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) Show SMILES OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H28FNO2/c26-25(23(28)29)11-13-27(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21H,9-17H2,(H,28,29)/t21?,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417381 (CHEMBL1277855) Show SMILES OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1cc(F)ccc1Cc1ccccc21 |t:3| Show InChI InChI=1S/C25H26FNO2/c26-21-8-7-17-12-18-4-1-2-6-23(18)25(14-20(17)13-21)10-9-22(15-25)27-11-3-5-19(16-27)24(28)29/h1-2,4-8,13,22H,3,9-12,14-16H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417372 (CHEMBL1277854) Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,10,22H,9,11-17H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50416672 (CHEMBL1222624) Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417363 (CHEMBL1276860) Show SMILES OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-24(28)23-20-14-26(15-21(20)23)19-9-10-25(13-19)12-18-7-2-1-5-16(18)11-17-6-3-4-8-22(17)25/h1-8,19-21,23H,9-15H2,(H,27,28)/t19?,20-,21+,23+,25?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416679 (CHEMBL1222762) Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416676 (CHEMBL1222693) Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50416675 (CHEMBL1222692) Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416680 (CHEMBL1222763) Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25FN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330747 ((-)-1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'...) Show SMILES OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t22?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330749 (1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...) Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417371 (CHEMBL1277679) Show SMILES OC(=O)C1(O)CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 Show InChI InChI=1S/C25H29NO3/c27-23(28)25(29)11-13-26(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21,29H,9-17H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50417380 (CHEMBL1277769) Show SMILES CC1(CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O Show InChI InChI=1S/C26H31NO2/c1-25(24(28)29)12-14-27(15-13-25)22-10-11-26(18-22)17-21-8-3-2-6-19(21)16-20-7-4-5-9-23(20)26/h2-9,22H,10-18H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416677 (CHEMBL1222694) Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50330750 (CHEMBL1277126) Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,10,19H,9,11-16H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair

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