Compile Data Set for Download or QSAR

Found 564 hits with Last Name = 'sakurai' and Initial = 'k'   

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
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
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))	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))	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))	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))	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
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
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM640486 (US20230399319, Example 2-031) Show SMILES Cc1ccc(cc1Nc1nc(co1)C(=O)NS(=O)(=O)N1CCCOCC1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493926 (US10988462, Example 37) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)N(C)C |r| Show InChI InChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493906 (US10988462, Example 21) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r| Show InChI InChI=1S/C24H22F5N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-15(26)9-30-10-16)13-4-14(25)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493905 (US10988462, Example 20) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-20-9-18(37(36-20)15-4-5-19(33-10-15)24(27,28)29)13-6-14(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493894 (US10988462, Example 10) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H22F7N5O3/c1-12-18(11-34-21(12)38)22(39)35-20-8-19(37(36-20)16-6-14(9-33-10-16)24(27,28)29)13-4-15(26)7-17(5-13)40-23(2,3)25(30,31)32/h4-10,12,18H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493901 (US10988462, Example 17) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r| Show InChI InChI=1S/C24H22ClF4N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-14(25)9-30-10-16)13-4-15(26)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493925 (US10988462, Example 36) Show SMILES COc1ncc(cn1)-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cc(F)cc(OC(C)(C)C(F)(F)F)c1 |r| Show InChI InChI=1S/C24H24F4N6O4/c1-12-17(11-29-20(12)35)21(36)32-19-8-18(34(33-19)15-9-30-22(37-4)31-10-15)13-5-14(25)7-16(6-13)38-23(2,3)24(26,27)28/h5-10,12,17H,11H2,1-4H3,(H,29,35)(H,32,33,36)/t12-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493879 (US10988462, Example 1) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F7N6O3/c1-11-16(10-32-19(11)38)20(39)35-18-7-17(37(36-18)14-8-33-21(34-9-14)23(26,27)28)12-4-13(25)6-15(5-12)40-22(2,3)24(29,30)31/h4-9,11,16H,10H2,1-3H3,(H,32,38)(H,35,36,39)/t11-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493917 (US10988462, Example 30) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r| Show InChI InChI=1S/C21H16ClF4N5O3/c1-10-16(9-28-19(10)32)20(33)29-18-6-17(31(30-18)14-4-12(22)7-27-8-14)11-2-13(23)5-15(3-11)34-21(24,25)26/h2-8,10,16H,9H2,1H3,(H,28,32)(H,29,30,33)/t10-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493897 (US10988462, Example 13) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(10-34-21(12)38)22(39)35-20-9-18(37(36-20)19-11-33-5-4-17(19)24(27,28)29)13-6-14(26)8-15(7-13)40-23(2,3)25(30,31)32/h4-9,11-12,16H,10H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50273013 (CHEMBL4129456) Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21| Show InChI InChI=1S/C22H28FN3O/c1-22-9-8-17(23)11-16(22)12-20(26-10-2-3-18(25)14-26)21(22)27-19-6-4-15(13-24)5-7-19/h4-7,11,16,18,20-21H,2-3,8-10,12,14,25H2,1H3/t16-,18+,20+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay				Bioorg Med Chem Lett 28: 2222-2227 (2018) Article DOI: 10.1016/j.bmcl.2018.03.056 BindingDB Entry DOI: 10.7270/Q2CF9SMH
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493907 (US10988462, Example 22) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncnc1 |r| Show InChI InChI=1S/C23H22F4N6O3/c1-12-17(10-30-20(12)34)21(35)31-19-7-18(33(32-19)15-8-28-11-29-9-15)13-4-14(24)6-16(5-13)36-22(2,3)23(25,26)27/h4-9,11-12,17H,10H2,1-3H3,(H,30,34)(H,31,32,35)/t12-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493898 (US10988462, Example 14) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C#N |r| Show InChI InChI=1S/C25H22F4N6O3/c1-13-18(11-32-22(13)36)23(37)33-21-9-19(35(34-21)20-12-31-5-4-14(20)10-30)15-6-16(26)8-17(7-15)38-24(2,3)25(27,28)29/h4-9,12-13,18H,11H2,1-3H3,(H,32,36)(H,33,34,37)/t13-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493927 (US10988462, Example 38) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H24F4N6O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-9-29-13(2)30-10-16)14-5-15(25)7-17(6-14)37-23(3,4)24(26,27)28/h5-10,12,18H,11H2,1-4H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493896 (US10988462, Example 12) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cccnc1C(F)(F)F |r| Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(11-34-21(12)38)22(39)35-19-10-18(37(36-19)17-5-4-6-33-20(17)24(27,28)29)13-7-14(26)9-15(8-13)40-23(2,3)25(30,31)32/h4-10,12,16H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493924 (US10988462, Example 35) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r| Show InChI InChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493909 (US10988462, Example 24) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-19-9-18(37(36-19)20-5-4-14(10-33-20)24(27,28)29)13-6-15(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493918 (US10988462, Example 31) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H18F7N5O3/c1-11-17(9-32-20(11)36)21(37)33-19-6-18(12-2-14(24)5-16(3-12)38-10-22(25,26)27)35(34-19)15-4-13(7-31-8-15)23(28,29)30/h2-8,11,17H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493910 (US10988462, Example 25) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H17F7N6O3/c1-10-15(8-30-18(10)36)19(37)33-17-5-16(11-2-12(23)4-14(3-11)38-9-21(24,25)26)35(34-17)13-6-31-20(32-7-13)22(27,28)29/h2-7,10,15H,8-9H2,1H3,(H,30,36)(H,33,34,37)/t10-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM493921 (US10988462, Example 33) Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H18F7N5O3/c1-11-16(9-32-20(11)36)21(37)33-19-7-17(12-4-13(24)6-15(5-12)38-10-22(25,26)27)35(34-19)14-2-3-18(31-8-14)23(28,29)30/h2-8,11,16H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...				US Patent US10988462 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QV5
					More data for this Ligand-Target Pair

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