Compile Data Set for Download or QSAR

Found 3290 hits with Last Name = 'kim' and Initial = 'i'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021214 (CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...) Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50371874 (CHEMBL257733) Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)c(F)cc12)C(C)(C)O Show InChI InChI=1S/C28H33FN4O2/c1-17-9-23-25(13-22(17)29)33(27(31-23)28(2,3)34)24-7-8-32(16-26(24)35-4)15-19-11-20-6-5-18(14-30)10-21(20)12-19/h5-6,9-10,13,19,24,26,34H,7-8,11-12,15-16H2,1-4H3/t19-,24+,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 18: 1402-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.010 BindingDB Entry DOI: 10.7270/Q2M909HR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50146042 (1-(3,4-Dichloro-phenyl)-3-diethylamino-indan-5-ol ...) Show SMILES CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-3-22(4-2)19-11-15(12-5-8-17(20)18(21)9-12)14-7-6-13(23)10-16(14)19/h5-10,15,19,23H,3-4,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50146043 (CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...) Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021214 (CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...) Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of from norepinephrine transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt 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
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054252 (5-Bromo-N-cyclopropylmethyl-2-methyl-N-propyl-N'-(...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br Show InChI InChI=1S/C18H20BrCl3N4/c1-3-6-26(9-11-4-5-11)18-15(19)17(23-10(2)24-18)25-16-13(21)7-12(20)8-14(16)22/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	Reactome pathway 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
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Reuptake inhibitory activity against dopamine DA transporter				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50146040 ((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...) Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1	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
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50146040 ((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...) Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1	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
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Reuptake inhibitory activity against Serotonin transporter				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054250 (CHEMBL306482 | N-Cyclopropylmethyl-2,5-dimethyl-N-...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C Show InChI InChI=1S/C19H23Cl3N4/c1-4-7-26(10-13-5-6-13)19-11(2)18(23-12(3)24-19)25-17-15(21)8-14(20)9-16(17)22/h8-9,13H,4-7,10H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212359 (CHEMBL558182 | threo-1-aza-4beta-hydroxy-5-(3,4-di...) Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14+,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054248 (2,5-Dimethyl-N,N-dipropyl-N'-(2,4,6-trichloro-phen...) Show SMILES CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C Show InChI InChI=1S/C18H23Cl3N4/c1-5-7-25(8-6-2)18-11(3)17(22-12(4)23-18)24-16-14(20)9-13(19)10-15(16)21/h9-10H,5-8H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Reuptake inhibitory activity against Serotonin transporter				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50371872 (CHEMBL257280) Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O Show InChI InChI=1S/C28H34N4O2/c1-18-5-8-24-23(11-18)30-27(28(2,3)33)32(24)25-9-10-31(17-26(25)34-4)16-20-13-21-7-6-19(15-29)12-22(21)14-20/h5-8,11-12,20,25-26,33H,9-10,13-14,16-17H2,1-4H3/t20-,25+,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 18: 1402-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.010 BindingDB Entry DOI: 10.7270/Q2M909HR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50146040 ((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...) Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Reuptake inhibitory activity against dopamine DA transporter				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021213 (1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...) Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309848 ((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071729 (CHEMBL313826 | Naphthalene-2-sulfonic acid [(S)-1-...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C25H29N3O3S/c26-18-20-10-8-19(9-11-20)16-24(25(29)28-14-4-1-5-15-28)27-32(30,31)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,24,27H,1,4-5,14-16,18,26H2/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071723 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212365 (CHEMBL556365 | threo-1-aza-5-(3,4-dichlorophenyl)[...) Show SMILES Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12 Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212361 ((1R,2R,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...) Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054253 (CHEMBL77716 | N-Cyclopropylmethyl-5-ethyl-2-methyl...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC Show InChI InChI=1S/C20H25Cl3N4/c1-4-8-27(11-13-6-7-13)20-15(5-2)19(24-12(3)25-20)26-18-16(22)9-14(21)10-17(18)23/h9-10,13H,4-8,11H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212387 (CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212383 ((1R,2S,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...) Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50142840 ((R)-2-[(R)-(3,4-Dichloro-phenyl)-methoxycarbonyl-m...) Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/p+1/t12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50371868 (CHEMBL269939) Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C25H30BrN3O/c1-16-4-7-23-22(10-16)27-17(2)29(23)24-8-9-28(15-25(24)30-3)14-18-11-19-5-6-21(26)13-20(19)12-18/h4-7,10,13,18,24-25H,8-9,11-12,14-15H2,1-3H3/t18-,24+,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 18: 1402-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.010 BindingDB Entry DOI: 10.7270/Q2M909HR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309847 ((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50371871 (CHEMBL255112) Show SMILES CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C28H36N4O2/c1-19-9-12-25-24(16-19)29-20(2)32(25)26-13-15-31(18-27(26)34-3)14-5-7-21-6-4-8-23(17-21)30-28(33)22-10-11-22/h4,6,8-9,12,16-17,22,26-27H,5,7,10-11,13-15,18H2,1-3H3,(H,30,33)/t26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 18: 1402-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.010 BindingDB Entry DOI: 10.7270/Q2M909HR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212373 ((1R,2S,9aR)-2-ethyl-1-phenyl-octahydro-1H-quinoliz...) Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1 Show InChI InChI=1S/C17H25N/c1-2-14-11-13-18-12-7-6-10-16(18)17(14)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3/t14-,16+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071725 ((S)-3-(4-Aminomethyl-phenyl)-2-(anthracene-2-sulfo...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C30H33N3O3S/c1-33(27-8-4-5-9-27)30(34)29(16-21-10-12-22(20-31)13-11-21)32-37(35,36)28-15-14-25-17-23-6-2-3-7-24(23)18-26(25)19-28/h2-3,6-7,10-15,17-19,27,29,32H,4-5,8-9,16,20,31H2,1H3/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071722 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-me...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C27H33N3O4S/c1-30(23-5-3-4-6-23)27(31)26(15-19-7-9-20(18-28)10-8-19)29-35(32,33)25-14-12-21-16-24(34-2)13-11-22(21)17-25/h7-14,16-17,23,26,29H,3-6,15,18,28H2,1-2H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070783 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50146043 (CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...) Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of from norepinephrine transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50146043 (CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...) Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50146040 ((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...) Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of from norepinephrine transporter of frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069055 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-6-19-13-15-23(16-14-19)32(30,31)27-24(17-20-9-11-21(18-26)12-10-20)25(29)28(2)22-7-4-5-8-22/h9-16,22,24,27H,3-8,17-18,26H2,1-2H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071726 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C26H35N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h10-15,17,23,25,28H,2-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309845 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309837 (1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50371866 (CHEMBL257906) Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O Show InChI InChI=1S/C27H34BrN3O2/c1-17-5-8-23-22(11-17)29-26(27(2,3)32)31(23)24-9-10-30(16-25(24)33-4)15-18-12-19-6-7-21(28)14-20(19)13-18/h5-8,11,14,18,24-25,32H,9-10,12-13,15-16H2,1-4H3/t18-,24+,25+/m0/s1	Reactome pathway KEGG 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
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 18: 1402-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.010 BindingDB Entry DOI: 10.7270/Q2M909HR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212381 (CHEMBL537874 | threo-1-aza-4beta-methoxy-5-phenyl[...) Show SMILES CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1 Show InChI InChI=1S/C16H23NO/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/t14-,15+,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021213 (1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...) Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Reuptake inhibitory activity against NE transporter				J Med Chem 47: 2624-34 (2004) Article DOI: 10.1021/jm0305873 BindingDB Entry DOI: 10.7270/Q2MK6DF4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071724 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(5-di...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C28H36N4O3S/c1-31(2)26-12-6-11-24-23(26)10-7-13-27(24)36(34,35)30-25(18-20-14-16-21(19-29)17-15-20)28(33)32(3)22-8-4-5-9-22/h6-7,10-17,22,25,30H,4-5,8-9,18-19,29H2,1-3H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair

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