Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'gros' 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
Alpha-1A adrenergic receptor (CALF)	BDBM50408198 (CHEMBL91278) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1 Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408201 (CHEMBL88512) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 Show InChI InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383163 (CHEMBL2031885) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-28(20)17-18-30-16-12-24-19-23(10-11-25(24)27(30)32)21-6-8-22(9-7-21)26(31)29-13-2-3-14-29/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383144 (CHEMBL2031864) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(nc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C22H24N4O2/c1-16-3-2-9-25(16)11-12-26-10-8-17-13-19(6-7-21(17)22(26)27)28-20-5-4-18(14-23)24-15-20/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408246 (CHEMBL92261) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408248 (CHEMBL330060) Show SMILES COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354216 (CHEMBL1836004) Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells				Bioorg Med Chem Lett 21: 5957-60 (2011) Article DOI: 10.1016/j.bmcl.2011.07.061 BindingDB Entry DOI: 10.7270/Q2QN6753
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354216 (CHEMBL1836004) Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50033112 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...) Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383142 (CHEMBL2031862) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C23H25N3O2/c1-17-3-2-11-25(17)13-14-26-12-10-19-15-21(8-9-22(19)23(26)27)28-20-6-4-18(16-24)5-7-20/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.600	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408205 (CHEMBL88435) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1C Show InChI InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50160165 (CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...) Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408244 (CHEMBL93736) Show SMILES COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408229 (CHEMBL329160) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408242 (CHEMBL91876) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 Show InChI InChI=1S/C24H33N5O2/c1-31-22-10-3-2-9-21(22)28-18-16-27(17-19-28)13-7-12-26-23-20(8-6-11-25-23)24(30)29-14-4-5-15-29/h2-3,6,8-11H,4-5,7,12-19H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408232 (CHEMBL91093) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC(C)(C)C Show InChI InChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383167 (CHEMBL2031741) Show SMILES O=C1N(CCN2CCCC2)CCc2cc(ccc12)-n1cnc2ccccc12 Show InChI InChI=1S/C22H24N4O/c27-22-19-8-7-18(26-16-23-20-5-1-2-6-21(20)26)15-17(19)9-12-25(22)14-13-24-10-3-4-11-24/h1-2,5-8,15-16H,3-4,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.800	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383138 (CHEMBL2031762) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-21-15-20(8-9-22(21)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383153 (CHEMBL2031874) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C24H29N3O2/c1-25(2)23(28)19-7-5-18(6-8-19)20-9-10-22-21(17-20)11-14-27(24(22)29)16-15-26-12-3-4-13-26/h5-10,17H,3-4,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383162 (CHEMBL2031884) Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r| Show InChI InChI=1S/C25H31N3O2/c1-3-26-24(29)20-8-6-19(7-9-20)21-10-11-23-22(17-21)12-14-28(25(23)30)16-15-27-13-4-5-18(27)2/h6-11,17-18H,3-5,12-16H2,1-2H3,(H,26,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383161 (CHEMBL2031883) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r| Show InChI InChI=1S/C24H29N3O2/c1-17-4-3-12-26(17)14-15-27-13-11-21-16-20(9-10-22(21)24(27)29)18-5-7-19(8-6-18)23(28)25-2/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,28)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383143 (CHEMBL2031863) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cn3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C22H24N4O2/c1-16-3-2-9-25(16)11-12-26-10-8-18-13-19(5-6-20(18)22(26)27)28-21-7-4-17(14-23)15-24-21/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383149 (CHEMBL2031869) Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C24H29N3O2/c1-2-25-23(28)19-7-5-18(6-8-19)20-9-10-22-21(17-20)11-14-27(24(22)29)16-15-26-12-3-4-13-26/h5-10,17H,2-4,11-16H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209674 (CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209674 (CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383136 (CHEMBL2031760) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-16-3-2-11-24(16)13-14-25-12-10-19-15-18(6-9-21(19)22(25)26)17-4-7-20(23)8-5-17/h4-9,15-16H,2-3,10-14H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383148 (CHEMBL2031868) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C23H27N3O2/c1-24-22(27)18-6-4-17(5-7-18)19-8-9-21-20(16-19)10-13-26(23(21)28)15-14-25-11-2-3-12-25/h4-9,16H,2-3,10-15H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383158 (CHEMBL2031879) Show SMILES Fc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C26H30FN3O2/c27-24-18-20(6-8-23(24)26(32)29-12-3-4-13-29)19-5-7-22-21(17-19)9-14-30(25(22)31)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209679 (CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209682 (CHEMBL233624 | N-(4-(5-fluoro-1H-indol-3-yl)butyl)...) Show SMILES Fc1ccc2[nH]cc(CCCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:13.12| Show InChI InChI=1S/C24H24FN3O/c25-18-7-9-23-21(13-18)17(14-28-23)4-1-2-10-26-19-12-16-6-8-22-20(5-3-11-27-22)24(16)29-15-19/h3,5-9,11,13-14,19,26,28H,1-2,4,10,12,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408208 (CHEMBL88820) Show SMILES COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C23H30N4O3/c1-25(2)23(29)18-8-4-5-9-19(18)24-22(28)12-13-26-14-16-27(17-15-26)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408192 (CHEMBL90869) Show SMILES CN(C)C(=O)c1cccnc1N1CCC(CC1)NCCOc1ccccc1OCC(F)(F)F Show InChI InChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408238 (CHEMBL89916) Show SMILES COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 Show InChI InChI=1S/C26H39N5O2/c1-20(2)31(21(3)4)26(32)22-19-27-13-11-23(22)28-12-8-14-29-15-17-30(18-16-29)24-9-6-7-10-25(24)33-5/h6-7,9-11,13,19-21H,8,12,14-18H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408202 (CHEMBL92901) Show SMILES COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 Show InChI InChI=1S/C22H31N5O2/c1-16-15-17(2)25-22(20(16)21(23)28)24-9-6-10-26-11-13-27(14-12-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,23,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408239 (CHEMBL90874) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 Show InChI InChI=1S/C24H35N5O2/c1-24(2,3)27-23(30)19-9-7-12-25-22(19)26-13-8-14-28-15-17-29(18-16-28)20-10-5-6-11-21(20)31-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354214 (CHEMBL1835992) Show SMILES CC(C)N1CC[C@H](C1)N(C)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H30N4O/c1-17(2)27-14-13-21(16-27)26(4)24(29)20-11-9-19(10-12-20)15-28-18(3)25-22-7-5-6-8-23(22)28/h5-12,17,21H,13-16H2,1-4H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells				Bioorg Med Chem Lett 21: 5957-60 (2011) Article DOI: 10.1016/j.bmcl.2011.07.061 BindingDB Entry DOI: 10.7270/Q2QN6753
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383159 (CHEMBL2031880) Show SMILES Clc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C26H30ClN3O2/c27-24-18-20(6-8-23(24)26(32)29-12-3-4-13-29)19-5-7-22-21(17-19)9-14-30(25(22)31)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383160 (CHEMBL2031881) Show SMILES CNC(=O)c1ccc(c(F)c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C23H26FN3O2/c1-25-22(28)18-5-6-19(21(24)15-18)16-4-7-20-17(14-16)8-11-27(23(20)29)13-12-26-9-2-3-10-26/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383156 (CHEMBL2031877) Show SMILES C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354205 (CHEMBL1835999) Show SMILES CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C19H24N4O/c1-21(18-10-13-22(14-18)16-4-2-5-16)19(24)15-6-8-17(9-7-15)23-12-3-11-20-23/h3,6-9,11-12,16,18H,2,4-5,10,13-14H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells				Bioorg Med Chem Lett 21: 5957-60 (2011) Article DOI: 10.1016/j.bmcl.2011.07.061 BindingDB Entry DOI: 10.7270/Q2QN6753
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383152 (CHEMBL2031873) Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C27H33N3O2/c31-26(28-24-5-1-2-6-24)21-9-7-20(8-10-21)22-11-12-25-23(19-22)13-16-30(27(25)32)18-17-29-14-3-4-15-29/h7-12,19,24H,1-6,13-18H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383165 (CHEMBL2031870) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C25H31N3O2/c1-18(2)26-24(29)20-7-5-19(6-8-20)21-9-10-23-22(17-21)11-14-28(25(23)30)16-15-27-12-3-4-13-27/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408194 (CHEMBL90287) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H29N5O/c1-24(2)21(27)19-10-6-11-22-20(19)23-12-7-13-25-14-16-26(17-15-25)18-8-4-3-5-9-18/h3-6,8-11H,7,12-17H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383151 (CHEMBL2031872) Show SMILES O=C(NC1CCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C26H31N3O2/c30-25(27-23-4-3-5-23)20-8-6-19(7-9-20)21-10-11-24-22(18-21)12-15-29(26(24)31)17-16-28-13-1-2-14-28/h6-11,18,23H,1-5,12-17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383137 (CHEMBL2031761) Show SMILES C[C@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-21-15-20(8-9-22(21)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383140 (CHEMBL2031764) Show SMILES C[C@@H]1CCCN1CCN1CCc2ccc(cc2C1=O)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-20-8-9-21(15-22(20)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair

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