Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 5429   

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-2A adrenergic receptor (Homo sapiens (Human))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50005246 (1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...) Show SMILES CC(N)Cc1ccccc1 Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50009057 ((R)Methyl-(1-methyl-2-phenyl-ethyl)-amine | METHAM...) Show SMILES CNC(C)Cc1ccccc1 Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50009057 ((R)Methyl-(1-methyl-2-phenyl-ethyl)-amine | METHAM...) Show SMILES CNC(C)Cc1ccccc1 Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005246 (1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...) Show SMILES CC(N)Cc1ccccc1 Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	24.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	42.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	43.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	68.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86283 (CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...) Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	294	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	597	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	605	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	648	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50009057 ((R)Methyl-(1-methyl-2-phenyl-ethyl)-amine | METHAM...) Show SMILES CNC(C)Cc1ccccc1 Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	736	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	765	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	918	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86285 (CAS_1576 | Methcathinone, (-) | NSC_1576) Show SMILES CNC(C)C(=O)c1ccccc1 Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86283 (CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...) Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM86284 (CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...) Show SMILES CNC(C)C(O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM86286 (CAS_62258 | Cathinone, (-) | NSC_62258) Show SMILES CC(N)C(=O)c1ccccc1 Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50022722 ((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...) Show SMILES CC(N)C(O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 138-45 (2003) Article DOI: 10.1124/jpet.103.053975 BindingDB Entry DOI: 10.7270/Q28W3BVJ
					More data for this Ligand-Target Pair

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