Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'shoji' and Initial = 'm'   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50019290 (CHEMBL3289390) Show SMILES [Br-].C[N+]1(C)CCC[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1/t19-;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50377964 (Cantil | Glycophenylate | MEPENZOLATE BROMIDE | Me...) Show SMILES C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50019290 (CHEMBL3289390) Show SMILES [Br-].C[N+]1(C)CCC[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1/t19-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50019289 (CHEMBL3289391) Show SMILES [Br-].C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1/t19-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50377964 (Cantil | Glycophenylate | MEPENZOLATE BROMIDE | Me...) Show SMILES C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	DrugBank Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127501 (3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127492 (4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127502 (4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127495 (3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127504 (CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127494 (3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127498 (3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50019289 (CHEMBL3289391) Show SMILES [Br-].C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1/t19-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				Bioorg Med Chem 22: 3488-97 (2014) Article DOI: 10.1016/j.bmc.2014.04.029 BindingDB Entry DOI: 10.7270/Q2VD7111
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127503 (3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127493 (3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...) Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127506 (3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/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	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127496 (CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127497 (4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127500 (3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127499 (3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50127505 (CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X (fXa)				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127501 (3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127498 (3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127495 (3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127504 (CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127494 (3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127496 (CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127492 (4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127502 (4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...) Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127497 (4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127505 (CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127500 (3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...) Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127506 (3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127493 (3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...) Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127503 (3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50127499 (3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 46: 1845-57 (2003) Article DOI: 10.1021/jm020485x BindingDB Entry DOI: 10.7270/Q2PZ586C
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Voltage-dependent L-type calcium channel in rat thoracic aorta ring				Bioorg Med Chem Lett 21: 3317-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.007 BindingDB Entry DOI: 10.7270/Q2N019CJ
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta ring assessed as effect on high K+ induced contraction by Magnus method				Bioorg Med Chem Lett 18: 4813-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.096 BindingDB Entry DOI: 10.7270/Q208684R
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166423 (US9073821, 550) Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1coc(COC)c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O6/c1-21(19(26)22-2,20(27)23-28)24(3)18(25)16-9-7-14(8-10-16)5-6-15-11-17(13-29-4)30-12-15/h7-12,28H,13H2,1-4H3,(H,22,26)(H,23,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166411 (US9073821, 376) Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H32N4O5/c1-27(25(33)28-2,26(34)29-35)30(3)24(32)23-13-11-21(12-14-23)6-5-20-7-9-22(10-8-20)19-31-15-4-17-36-18-16-31/h7-14,35H,4,15-19H2,1-3H3,(H,28,33)(H,29,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166426 (US9073821, 557) Show SMILES CCOC1CN(Cc2ccc(cc2)C#Cc2ccc(cc2)C(=O)N(C)[C@@](C)(C(=O)NC)C(=O)NO)C1 |r| Show InChI InChI=1S/C27H32N4O5/c1-5-36-23-17-31(18-23)16-21-10-8-19(9-11-21)6-7-20-12-14-22(15-13-20)24(32)30(4)27(2,25(33)28-3)26(34)29-35/h8-15,23,35H,5,16-18H2,1-4H3,(H,28,33)(H,29,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166418 (US9073821, 434) Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(\C=C\c2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H32N4O5/c1-26(24(32)27-2,25(33)28-34)29(3)23(31)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)18-30-14-16-35-17-15-30/h4-13,34H,14-18H2,1-3H3,(H,27,32)(H,28,33)/b5-4+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475660 (CHEMBL201566) Show SMILES C\C(CO\C(O)=C1\C(C(C(O)=O)=C(C)N=C1C)c1cccc(Cl)c1)=C/c1ccccc1 |c:14,t:11| Show InChI InChI=1S/C25H24ClNO4/c1-15(12-18-8-5-4-6-9-18)14-31-25(30)22-17(3)27-16(2)21(24(28)29)23(22)19-10-7-11-20(26)13-19/h4-13,23,30H,14H2,1-3H3,(H,28,29)/b15-12+,25-22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166415 (US9073821, 405) Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C#CCOC)C(=O)NO Show InChI InChI=1S/C22H23N3O5/c1-23-20(26)19(21(27)24-29)25(2)22(28)18-12-10-17(11-13-18)16-8-6-15(7-9-16)5-4-14-30-3/h6-13,19,29H,14H2,1-3H3,(H,23,26)(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166409 (US9073821, 211) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C(C(=O)NC)C(=O)NO Show InChI InChI=1S/C20H23N3O5/c1-4-28-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20(26)23(3)17(18(24)21-2)19(25)22-27/h5-12,17,27H,4H2,1-3H3,(H,21,24)(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166412 (US9073821, 396) Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1ccc(CNC2COC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H28N4O5/c1-25(23(31)26-2,24(32)28-33)29(3)22(30)20-12-10-18(11-13-20)5-4-17-6-8-19(9-7-17)14-27-21-15-34-16-21/h6-13,21,27,33H,14-16H2,1-3H3,(H,26,31)(H,28,32)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166388 (US9073821, 3) Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C19H21N3O5/c1-20-17(23)16(18(24)21-26)22(2)19(25)14-6-4-12(5-7-14)13-8-10-15(27-3)11-9-13/h4-11,16,26H,1-3H3,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM166432 (US9073821, 585) Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1coc(CNC2CC2)c1)C(=O)NO |r| Show InChI InChI=1S/C23H26N4O5/c1-23(21(29)24-2,22(30)26-31)27(3)20(28)17-8-6-15(7-9-17)4-5-16-12-19(32-14-16)13-25-18-10-11-18/h6-9,12,14,18,25,31H,10-11,13H2,1-3H3,(H,24,29)(H,26,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	8.0	25
TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD. US Patent					Assay Description To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...				US Patent US9073821 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6R0H
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475658 (CHEMBL201984) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\C1CCCCC1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H28ClNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h6-7,10-12,14,17,22,29H,3-5,8-9,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair

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