Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'hong' and Initial = 'cy'   

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
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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					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
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
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))	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	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 Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt 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
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069053 ((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/C26H31N3O3S/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/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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))	BDBM50071721 ((S)-3-(4-Aminomethyl-phenyl)-2-(4-cyclohexyl-benze...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C28H39N3O3S/c1-31(25-9-5-6-10-25)28(32)27(19-21-11-13-22(20-29)14-12-21)30-35(33,34)26-17-15-24(16-18-26)23-7-3-2-4-8-23/h11-18,23,25,27,30H,2-10,19-20,29H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069053 ((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/C26H31N3O3S/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/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071728 ((S)-3-(4-Aminomethyl-phenyl)-2-(biphenyl-4-sulfony...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H33N3O3S/c1-31(25-9-5-6-10-25)28(32)27(19-21-11-13-22(20-29)14-12-21)30-35(33,34)26-17-15-24(16-18-26)23-7-3-2-4-8-23/h2-4,7-8,11-18,25,27,30H,5-6,9-10,19-20,29H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071727 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C25H30N4O3S2/c1-29(20-6-2-3-7-20)25(30)22(16-18-9-11-19(17-26)12-10-18)28-34(31,32)24-14-13-23(33-24)21-8-4-5-15-27-21/h4-5,8-15,20,22,28H,2-3,6-7,16-17,26H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069052 (CHEMBL164661 | Naphthalene-2-sulfonic acid [(S)-1-...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)cc1 Show InChI InChI=1S/C24H27N3O3S/c25-17-19-9-7-18(8-10-19)15-23(24(28)27-13-3-4-14-27)26-31(29,30)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,23,26H,3-4,13-15,17,25H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	327	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069051 ((S)-3-(4-Aminomethyl-phenyl)-N-isopropyl-N-methyl-...) Show SMILES CC(C)N(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H29N3O3S/c1-17(2)27(3)24(28)23(14-18-8-10-19(16-25)11-9-18)26-31(29,30)22-13-12-20-6-4-5-7-21(20)15-22/h4-13,15,17,23,26H,14,16,25H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	783	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069057 ((S)-3-(4-Aminomethyl-phenyl)-N,N-dimethyl-2-(napht...) Show SMILES CN(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H25N3O3S/c1-25(2)22(26)21(13-16-7-9-17(15-23)10-8-16)24-29(27,28)20-12-11-18-5-3-4-6-19(18)14-20/h3-12,14,21,24H,13,15,23H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+3	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 of the compound towards bovine trypsin was evaluated in vitro				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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