Found 164 hits with Last Name = 'muranaka' and Initial = 'h' 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 |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50051232
(8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...)Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Binding affinity to rat A2A adenosine receptor |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273137
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273136
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1 Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pich... |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273299
(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1 Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273297
(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1 Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50051226
(7-(4-Fluoro-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e...)Show SMILES Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)9-24-15-12(8-20-24)16-21-14(13-2-1-7-26-13)23-25(16)17(19)22-15/h1-8H,9H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Binding affinity to rat A2A adenosine receptor |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273229
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273188
(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273138
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254384
(CHEMBL4079067)Show SMILES Nc1nc2nn(Cc3ccc(cc3)C3(N=N3)C(F)(F)F)cc2c2nc(nn12)-c1ccco1 |c:15| Show InChI InChI=1S/C19H12F3N9O/c20-19(21,22)18(28-29-18)11-5-3-10(4-6-11)8-30-9-12-14(26-30)25-17(23)31-16(12)24-15(27-31)13-2-1-7-32-13/h1-7,9H,8H2,(H2,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pich... |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM17283
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r| 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 MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of factor 10a in human plasma |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pich... |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273262
(CHEMBL458067 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1 Show InChI InChI=1S/C20H25N3O6S/c1-12(2)14-4-3-13(17(9-14)29-11-19(25)26)7-8-23-30(27,28)18-10-15(20(21)22)5-6-16(18)24/h3-6,9-10,12,23-24H,7-8,11H2,1-2H3,(H3,21,22)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273227
(4-Hydroxy-3-{[2-(4-isopropyl-phenyl)-ethyl]-methyl...)Show SMILES CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22(3)26(24,25)18-12-16(19(20)21)8-9-17(18)23/h4-9,12-13,23H,10-11H2,1-3H3,(H3,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273265
(CHEMBL457633 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1 Show InChI InChI=1S/C20H26N4O5S/c1-12(2)14-4-3-13(16(9-14)23-11-19(26)27)7-8-24-30(28,29)18-10-15(20(21)22)5-6-17(18)25/h3-6,9-10,12,23-25H,7-8,11H2,1-2H3,(H3,21,22)(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273187
(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pich... |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273136
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1 Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254363
(CHEMBL4103324)Show SMILES Nc1nc2n(Cc3ccc(cc3)C3(N=N3)C(F)(F)F)ncc2c2nc(nn12)-c1ccco1 |c:14| Show InChI InChI=1S/C19H12F3N9O/c20-19(21,22)18(28-29-18)11-5-3-10(4-6-11)9-30-15-12(8-24-30)16-25-14(13-2-1-7-32-13)27-31(16)17(23)26-15/h1-8H,9H2,(H2,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan.
Curated by ChEMBL
| Assay Description Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pich... |
ACS Med Chem Lett 8: 660-665 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273189
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273190
(4-Chloro-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl]...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2Cl)C(N)=N)cc1 Show InChI InChI=1S/C18H22ClN3O2S/c1-12(2)14-5-3-13(4-6-14)9-10-22-25(23,24)17-11-15(18(20)21)7-8-16(17)19/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273264
(CHEMBL457632 | ethyl 2-(2-(2-(2-hydroxy-5-(N'-hydr...)Show SMILES CCOC(=O)COc1cc(ccc1CCNS(=O)(=O)c1cc(ccc1O)C(=N)NO)C(C)C Show InChI InChI=1S/C22H29N3O7S/c1-4-31-21(27)13-32-19-11-16(14(2)3)6-5-15(19)9-10-24-33(29,30)20-12-17(22(23)25-28)7-8-18(20)26/h5-8,11-12,14,24,26,28H,4,9-10,13H2,1-3H3,(H2,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273231
(CHEMBL455919 | ethyl 2-(N-(4-isopropylphenethyl)-2...)Show SMILES CCOC(=O)CN(CCc1ccc(cc1)C(C)C)S(=O)(=O)c1cc(ccc1O)C(=N)NO Show InChI InChI=1S/C22H29N3O6S/c1-4-31-21(27)14-25(12-11-16-5-7-17(8-6-16)15(2)3)32(29,30)20-13-18(22(23)24-28)9-10-19(20)26/h5-10,13,15,26,28H,4,11-12,14H2,1-3H3,(H2,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273230
(CHEMBL509493 | {[2-Hydroxy-5-(N-hydroxycarbamimido...)Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1 Show InChI InChI=1S/C20H25N3O6S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)30(28,29)18-11-16(20(21)22-27)7-8-17(18)24/h3-8,11,13,24,27H,9-10,12H2,1-2H3,(H2,21,22)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273228
(4,N-Dihydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfa...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1 Show InChI InChI=1S/C18H23N3O4S/c1-12(2)14-5-3-13(4-6-14)9-10-20-26(24,25)17-11-15(18(19)21-23)7-8-16(17)22/h3-8,11-12,20,22-23H,9-10H2,1-2H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50273187
(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50273189
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50273138
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273263
(2-(2-(2-(2-hydroxy-5-(N'-hydroxycarbamimidoyl)phen...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)c(OCC(O)=O)c1 Show InChI InChI=1S/C20H25N3O7S/c1-12(2)14-4-3-13(17(9-14)30-11-19(25)26)7-8-22-31(28,29)18-10-15(20(21)23-27)5-6-16(18)24/h3-6,9-10,12,22,24,27H,7-8,11H2,1-2H3,(H2,21,23)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273191
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-4-methox...)Show SMILES COc1ccc(cc1S(=O)(=O)NCCc1ccc(cc1)C(C)C)C(N)=N Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22-26(23,24)18-12-16(19(20)21)8-9-17(18)25-3/h4-9,12-13,22H,10-11H2,1-3H3,(H3,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50273137
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50273136
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1 Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM17283
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r| 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 MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus |
J Med Chem 46: 105-12 (2002)
Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of spontaneous contractions in isolated rat uterus |
J Med Chem 46: 105-12 (2002)
Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Agonistic activity towards beta-2 adrenoceptor. IC50, the mean concentration required to produce 50% inhibition of uterine contraction |
J Med Chem 44: 1436-45 (2001)
BindingDB Entry DOI: 10.7270/Q2Q52QVH |
More data for this Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of wild type human N-terminal GST-fusion tagged TRKB kinase domain (456 to 822 residues) expressed in baculovirus expression system by HTR... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126775 BindingDB Entry DOI: 10.7270/Q2Q243K6 |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of wild type human His-tagged TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126775 BindingDB Entry DOI: 10.7270/Q2Q243K6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50232542
(CHEMBL4090531 | US10323022, Example 135)Show SMILES CCOc1nn(c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C)-c1ccccc1 |r| Show InChI InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TrkA expressed in DHFR deficient CHO cells assessed as inhibition of human beta-nerve growth factor-induced calcium i... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of TRKA E735A mutant (unknown origin) expressed in baculovirus infected sf9 cells assessed as kinase domain dimerization by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126775 BindingDB Entry DOI: 10.7270/Q2Q243K6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50232542
(CHEMBL4090531 | US10323022, Example 135)Show SMILES CCOc1nn(c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C)-c1ccccc1 |r| Show InChI InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TrkB expressed in DHFR deficient CHO cells assessed as inhibition of human brain-derived neurotrophic factor-induced ... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TrkC expressed in DHFR deficient CHO cells assessed as inhibition of human neurotrophin-3-induced calcium influx by F... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of juxtamembrane region deficient recombinant human N-terminal His6-tagged/GST-tagged TrkA (498 to 796 residues) expressed in baculovirus ... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50002133
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus |
J Med Chem 46: 105-12 (2002)
Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM50002133
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of spontaneous contractions in isolated rat uterus |
J Med Chem 46: 105-12 (2002)
Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM50002133
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.12 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction |
J Med Chem 44: 1436-45 (2001)
BindingDB Entry DOI: 10.7270/Q2Q52QVH |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(CHEMBL457614)Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TrkA expressed in DHFR deficient CHO cells assessed as inhibition of human beta-nerve growth factor-induced calcium i... |
Bioorg Med Chem Lett 27: 1233-1236 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.056 BindingDB Entry DOI: 10.7270/Q2TT4T51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |