Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'katoh' and Initial = 's'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368723 (Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...) Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	0.00270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368723 (Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...) Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity for DA2 receptor				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50068488 ((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368731 (CHEMBL1203185) Show SMILES O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C20H18N2O3S/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15/h1-7,15,21H,8-11H2,(H,22,23)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor by use of [3H]8-OH-DPAT in male rat				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity for DA2 receptor				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288762 ((1S,10R)-14-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ace...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCCOC2=O Show InChI InChI=1S/C22H27NO9/c1-28-16-11-13(12-17(29-2)19(16)30-3)18(24)20(25)23-14-7-6-8-15(23)22(27)32-10-5-4-9-31-21(14)26/h11-12,14-15H,4-10H2,1-3H3/t14-,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068488 ((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Trypsin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288763 ((1S,9R)-5-Benzyloxymethyl-13-[2-oxo-2-(3,4,5-trime...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(COCc1ccccc1)COC2=O Show InChI InChI=1S/C29H33NO10/c1-35-23-12-20(13-24(36-2)26(23)37-3)25(31)27(32)30-21-10-7-11-22(30)29(34)40-17-19(16-39-28(21)33)15-38-14-18-8-5-4-6-9-18/h4-6,8-9,12-13,19,21-22H,7,10-11,14-17H2,1-3H3/t19?,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288765 ((1S,9R)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-1...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO[Si](C)(C)C(C)(C)C)COC2=O Show InChI InChI=1S/C28H41NO10Si/c1-28(2,3)40(7,8)39-16-17-14-37-26(32)19-10-9-11-20(27(33)38-15-17)29(19)25(31)23(30)18-12-21(34-4)24(36-6)22(13-18)35-5/h12-13,17,19-20H,9-11,14-16H2,1-8H3/t17?,19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288764 ((1S,9R)-13-[2-((1S,2R,5R)-1-Hydroxy-5-isopropyl-2-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O Show InChI InChI=1S/C22H33NO7/c1-13(2)15-9-8-14(3)22(28,12-15)18(24)19(25)23-16-6-4-7-17(23)21(27)30-11-5-10-29-20(16)26/h13-17,28H,4-12H2,1-3H3/t14-,15-,16-,17+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288768 ((1R,10S)-14-(3,3-Dimethyl-2-oxo-pentanoyl)-3,8-dio...) Show SMILES CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O Show InChI InChI=1S/C18H27NO6/c1-4-18(2,3)14(20)15(21)19-12-8-7-9-13(19)17(23)25-11-6-5-10-24-16(12)22/h12-13H,4-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288767 ((1R,9S)-13-(3,3-Dimethyl-2-oxo-pentanoyl)-3,7-diox...) Show SMILES CCC(C)(C)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O Show InChI InChI=1S/C17H25NO6/c1-4-17(2,3)13(19)14(20)18-11-7-5-8-12(18)16(22)24-10-6-9-23-15(11)21/h11-12H,4-10H2,1-3H3/t11-,12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Trypsin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50157341 (3-(2-Carbamimidoyl-isoquinolin-7-yl)-2-{4-[1-(1-im...) Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H27N5O3/c1-16(26)29-11-9-22(15-29)33-21-6-4-19(5-7-21)23(24(31)32)13-17-2-3-18-8-10-30(25(27)28)14-20(18)12-17/h2-8,10,12,14,22-23,26H,9,11,13,15H2,1H3,(H3-,27,28,31,32)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Mean inhibitory concentration against plasmin; n=3				Bioorg Med Chem Lett 15: 185-9 (2004) Article DOI: 10.1016/j.bmcl.2004.10.033 BindingDB Entry DOI: 10.7270/Q26Q1Z14
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50068488 ((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Plasmin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288766 ((1S,9R)-13-{2-[(1S,2R,5R)-1-Hydroxy-5-(2-methoxy-1...) Show SMILES COCC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO)COC2=O Show InChI InChI=1S/C24H37NO9/c1-14(11-32-3)17-8-7-15(2)24(31,9-17)20(27)21(28)25-18-5-4-6-19(25)23(30)34-13-16(10-26)12-33-22(18)29/h14-19,26,31H,4-13H2,1-3H3/t14?,15-,16?,17-,18-,19+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50157335 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1 Show InChI InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Mean inhibitory concentration against plasmin; n=3				Bioorg Med Chem Lett 15: 185-9 (2004) Article DOI: 10.1016/j.bmcl.2004.10.033 BindingDB Entry DOI: 10.7270/Q26Q1Z14
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Plasmin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068488 ((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288769 ((S)-1-[2-((1S,2R,5R)-1-Hydroxy-5-isopropyl-2-methy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H35NO5/c1-17(2)20-13-12-18(3)25(30,15-20)22(27)23(28)26-14-8-7-11-21(26)24(29)31-16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-21,30H,7-8,11-16H2,1-3H3/t18-,20-,21+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50409938 (CHEMBL2094062) Show SMILES C[C@H](NC(=O)Cn1c(CN(C(=O)c2ccc(cc2)C(O)=O)c2ccc(OC3CCN(CC3)C(N)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1 |r| Show InChI InChI=1S/C39H41N9O5/c1-24(25-5-3-2-4-6-25)44-35(49)23-48-33-16-11-28(36(40)41)21-32(33)45-34(48)22-47(37(50)26-7-9-27(10-8-26)38(51)52)29-12-14-30(15-13-29)53-31-17-19-46(20-18-31)39(42)43/h2-16,21,24,31H,17-20,22-23H2,1H3,(H3,40,41)(H3,42,43)(H,44,49)(H,51,52)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150502 (CHEMBL537184 | N-{5-Carbamimidoyl-1-[(3,4-dichloro...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C39H38Cl2N8O5/c1-23(42)47-16-14-30(15-17-47)54-29-10-8-28(9-11-29)48(38(51)25-3-5-26(6-4-25)39(52)53)21-35-46-33-19-27(37(43)44)7-13-34(33)49(35)22-36(50)45-20-24-2-12-31(40)32(41)18-24/h2-13,18-19,30,42H,14-17,20-22H2,1H3,(H3,43,44)(H,45,50)(H,52,53)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150499 (CHEMBL536722 | N-(5-Carbamimidoyl-1-cyclohexylcarb...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C38H44N8O5/c1-24(39)44-19-17-31(18-20-44)51-30-14-12-29(13-15-30)45(37(48)25-7-9-26(10-8-25)38(49)50)22-34-43-32-21-27(36(40)41)11-16-33(32)46(34)23-35(47)42-28-5-3-2-4-6-28/h7-16,21,28,31,39H,2-6,17-20,22-23H2,1H3,(H3,40,41)(H,42,47)(H,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150496 (CHEMBL536490 | N-(5-Carbamimidoyl-1-cyclohexylcarb...) Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C37H43N9O5/c38-34(39)25-10-15-31-30(20-25)43-32(46(31)22-33(47)42-26-4-2-1-3-5-26)21-45(35(48)23-6-8-24(9-7-23)36(49)50)27-11-13-28(14-12-27)51-29-16-18-44(19-17-29)37(40)41/h6-15,20,26,29H,1-5,16-19,21-22H2,(H3,38,39)(H3,40,41)(H,42,47)(H,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368724 (CHEMBL1203171) Show SMILES O=C(NCC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C19H24N2OS/c22-19(21-11-13-6-2-1-3-7-13)16-10-15-14-8-4-5-9-17(14)23-18(15)12-20-16/h4-5,8-9,13,16,20H,1-3,6-7,10-12H2,(H,21,22)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368736 (CHEMBL1203188) Show SMILES O=C(NC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C20H26N2OS/c23-20(22-14-8-4-2-1-3-5-9-14)17-12-16-15-10-6-7-11-18(15)24-19(16)13-21-17/h6-7,10-11,14,17,21H,1-5,8-9,12-13H2,(H,22,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50157335 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1 Show InChI InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368720 (CHEMBL1203158) Show SMILES O=C(NC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C18H22N2OS/c21-18(20-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15/h4-5,8-9,12,15,19H,1-3,6-7,10-11H2,(H,20,21)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368715 (CHEMBL1203194) Show SMILES CC1CCCCC1NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C19H24N2OS/c1-12-6-2-4-8-15(12)21-19(22)16-10-14-13-7-3-5-9-17(13)23-18(14)11-20-16/h3,5,7,9,12,15-16,20H,2,4,6,8,10-11H2,1H3,(H,21,22)/t12?,15?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368728 (CHEMBL1203179) Show SMILES O=C(NC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C19H24N2OS/c22-19(21-13-7-3-1-2-4-8-13)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,1-4,7-8,11-12H2,(H,21,22)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150492 (2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...) Show SMILES CC(NC(=O)Cn1c(COc2ccc(OC3CCN(CC3)C(C)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C32H37N7O3/c1-21(23-6-4-3-5-7-23)36-31(40)19-39-29-13-8-24(32(34)35)18-28(29)37-30(39)20-41-25-9-11-26(12-10-25)42-27-14-16-38(17-15-27)22(2)33/h3-13,18,21,27,33H,14-17,19-20H2,1-2H3,(H3,34,35)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150488 (2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccc(Cl)c(Cl)c2)C(N)=N)cc1 Show InChI InChI=1S/C31H33Cl2N7O3/c1-19(34)39-12-10-24(11-13-39)43-23-6-4-22(5-7-23)42-18-29-38-27-15-21(31(35)36)3-9-28(27)40(29)17-30(41)37-16-20-2-8-25(32)26(33)14-20/h2-9,14-15,24,34H,10-13,16-18H2,1H3,(H3,35,36)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368716 (CHEMBL1203193) Show SMILES CC1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:10.10,(-11.92,3.89,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)| Show InChI InChI=1S/C19H24N2OS/c1-12-6-8-13(9-7-12)21-19(22)16-10-15-14-4-2-3-5-17(14)23-18(15)11-20-16/h2-5,12-13,16,20H,6-11H2,1H3,(H,21,22)/t12?,13?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150495 (2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)cc1 Show InChI InChI=1S/C30H39N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h7-12,17,22,25,31H,2-6,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368717 (CHEMBL1203173) Show SMILES O=C(OC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C18H21NO2S/c20-18(21-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15/h4-5,8-9,12,15,19H,1-3,6-7,10-11H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368735 (CHEMBL1203192) Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:13.13,(-13.3,3.41,;-12.2,4.05,;-12.2,5.32,;-13.3,4.68,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.93,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.93,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)| Show InChI InChI=1S/C22H30N2OS/c1-22(2,3)14-8-10-15(11-9-14)24-21(25)18-12-17-16-6-4-5-7-19(16)26-20(17)13-23-18/h4-7,14-15,18,23H,8-13H2,1-3H3,(H,24,25)/t14?,15?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368731 (CHEMBL1203185) Show SMILES O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C20H18N2O3S/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15/h1-7,15,21H,8-11H2,(H,22,23)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368726 (CHEMBL1203156) Show SMILES O=C(OC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C19H23NO2S/c21-19(22-13-7-3-1-2-4-8-13)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,1-4,7-8,11-12H2/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50157342 (7-(3,4,5,6-Tetrahydro-2H-[1,4'']bipyridinyl-4-ylme...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(CC3)c3ccncc3)cc2C1 Show InChI InChI=1S/C21H27N5O/c22-21(23)26-12-7-17-1-2-20(13-18(17)14-26)27-15-16-5-10-25(11-6-16)19-3-8-24-9-4-19/h1-4,8-9,13,16H,5-7,10-12,14-15H2,(H3,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368721 (CHEMBL1203199) Show SMILES C[C@H](NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21)c1ccccc1 |r| Show InChI InChI=1S/C20H20N2OS/c1-13(14-7-3-2-4-8-14)22-20(23)17-11-16-15-9-5-6-10-18(15)24-19(16)12-21-17/h2-10,13,17,21H,11-12H2,1H3,(H,22,23)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50150494 (2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)C(N)=N)cc1 Show InChI InChI=1S/C30H31Cl2N7O3/c1-18(33)38-12-10-23(11-13-38)42-22-6-4-21(5-7-22)41-17-28-37-26-14-19(30(34)35)2-9-27(26)39(28)16-29(40)36-20-3-8-24(31)25(32)15-20/h2-9,14-15,23,33H,10-13,16-17H2,1H3,(H3,34,35)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368732 (CHEMBL1203191) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1Cc2c(CN1)sc1ccccc21 |r,TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:10.9.11:4,8:9:12.7.6:4| Show InChI InChI=1S/C22H26N2OS/c25-21(24-22-9-13-5-14(10-22)7-15(6-13)11-22)18-8-17-16-3-1-2-4-19(16)26-20(17)12-23-18/h1-4,13-15,18,23H,5-12H2,(H,24,25)/t13?,14?,15?,18-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036656 (1,2,3,4-Tetrahydro-benzo[4,5]thieno[2,3-c]pyridine...) Show SMILES O=C(NC1CC2CCC1C2)[C@H]1Cc2c(CN1)sc1ccccc21 |THB:2:3:9:7.6| Show InChI InChI=1S/C19H22N2OS/c22-19(21-15-8-11-5-6-12(15)7-11)16-9-14-13-3-1-2-4-17(13)23-18(14)10-20-16/h1-4,11-12,15-16,20H,5-10H2,(H,21,22)/t11?,12?,15?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368719 (CHEMBL1203209) Show SMILES O=C(OC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r| Show InChI InChI=1S/C20H25NO2S/c22-20(23-14-8-4-2-1-3-5-9-14)17-12-16-15-10-6-7-11-18(15)24-19(16)13-21-17/h6-7,10-11,14,17,21H,1-5,8-9,12-13H2/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Chemical Industry Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 36: 3526-32 (1994) BindingDB Entry DOI: 10.7270/Q2D21Z74
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50157330 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES CCOC(=O)C1(COc2ccc3CCN(Cc3c2)C(N)=N)CCN(CC1)c1ccncc1 Show InChI InChI=1S/C24H31N5O3/c1-2-31-22(30)24(8-13-28(14-9-24)20-5-10-27-11-6-20)17-32-21-4-3-18-7-12-29(23(25)26)16-19(18)15-21/h3-6,10-11,15H,2,7-9,12-14,16-17H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50409939 (CHEMBL2093954) Show SMILES C[C@@H](NC(=O)Cn1c(CN(C(=O)c2ccc(cc2)C(O)=O)c2ccc(OC3CCN(CC3)C(N)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1 |r| Show InChI InChI=1S/C39H41N9O5/c1-24(25-5-3-2-4-6-25)44-35(49)23-48-33-16-11-28(36(40)41)21-32(33)45-34(48)22-47(37(50)26-7-9-27(10-8-26)38(51)52)29-12-14-30(15-13-29)53-31-17-19-46(20-18-31)39(42)43/h2-16,21,24,31H,17-20,22-23H2,1H3,(H3,40,41)(H3,42,43)(H,44,49)(H,51,52)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
					More data for this Ligand-Target Pair

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