Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'langlois' and Initial = 'x'   

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
Metabotropic glutamate receptor 1 (RAT)	BDBM86211 (CAS_52809-07-1 | NSC_40539 | Quisqualate) Show SMILES NC(Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50002371 (2-aminopentanedioic acidglutamic acid | CHEMBL2763...) Show SMILES NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development, LLC Curated by PDSP Ki Database									Br J Pharmacol 143: 649-61 (2004) Article DOI: 10.1038/sj.bjp.0705964 BindingDB Entry DOI: 10.7270/Q2319TF2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50089896 (4-(Amino-carboxy-methyl)-3-methyl-benzoic acid((+)...) Show SMILES Cc1cc(ccc1C(N)C(O)=O)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development, LLC Curated by PDSP Ki Database									Br J Pharmacol 143: 649-61 (2004) Article DOI: 10.1038/sj.bjp.0705964 BindingDB Entry DOI: 10.7270/Q2319TF2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50163606 (1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-ph...) Show SMILES O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1 Show InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50231744 (CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB 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
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030628 ((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...) Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB 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
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB 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
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM86212 (1S, 3R-ACPD | CAS_104766 | NSC_104766) Show SMILES NC1(CCC(C1)C(O)=O)C(O)=O Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development, LLC Curated by PDSP Ki Database									Br J Pharmacol 143: 649-61 (2004) Article DOI: 10.1038/sj.bjp.0705964 BindingDB Entry DOI: 10.7270/Q2319TF2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt 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
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt 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
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50212323 ((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...) Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1 Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50163631 (1-Methyl-4-piperidin-4-ylidene-1,4-dihydro-1,5,7a-...) Show SMILES [#6]-n1ccc2c1-[#6](=O)-[#6]-n1ccnc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C16H18N4O/c1-19-8-4-12-14(11-2-5-17-6-3-11)16-18-7-9-20(16)10-13(21)15(12)19/h4,7-9,17H,2-3,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50163629 (CHEMBL539843 | spiro[6,11-dihydro-5H-benzo[d]imida...) Show SMILES NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1 Show InChI InChI=1S/C17H20N4O/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16/h1-4,11,19H,5-10H2,(H2,18,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50163630 (1-Methyl-4-piperidin-4-ylidene-1,4,8,9-tetrahydro-...) Show SMILES [#6]-n1ccc2c1-[#6]-[#6]-n1ccnc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C16H20N4/c1-19-9-4-13-14(19)5-10-20-11-8-18-16(20)15(13)12-2-6-17-7-3-12/h4,8-9,11,17H,2-3,5-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22876 (CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development, LLC Curated by PDSP Ki Database									Br J Pharmacol 143: 649-61 (2004) Article DOI: 10.1038/sj.bjp.0705964 BindingDB Entry DOI: 10.7270/Q2319TF2
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development, LLC Curated by PDSP Ki Database									Br J Pharmacol 143: 649-61 (2004) Article DOI: 10.1038/sj.bjp.0705964 BindingDB Entry DOI: 10.7270/Q2319TF2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030630 ((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...) Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	98.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha-1A receptor				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030627 ((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...) Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human cloned NK1 receptor				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human cloned dopamine D3 receptor				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50146518 ((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from rat DAT				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50212323 ((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...) Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1 Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM86213 (CAS_5126051 | CHEMBL327783 | CPCCOEt | NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair

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