Found 102 hits with Last Name = 'kashima' and Initial = 'a' 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 |
Adenosylhomocysteinase
(Rattus norvegicus) | BDBM50105900
(CHEMBL11390)Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Reversible inhibition of rat liver S-adenosyl-L-homocysteine hydrolase |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598963
(CHEMBL5174310)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM212579
(US10155731, Example 270 | US9278944, 270)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM212579
(US10155731, Example 270 | US9278944, 270)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50598963
(CHEMBL5174310)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50598961
(CHEMBL5200104)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601200
(CHEMBL5203297)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)C2CNCCO2)c2ccccc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM212577
(US10155731, Example 268 | US9278944, 268)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598965
(CHEMBL5188936)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50598961
(CHEMBL5200104)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598960
(CHEMBL5176170)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM212577
(US10155731, Example 268 | US9278944, 268)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM212580
(US10155731, Example 271 | US9278944, 271)Show SMILES COC(=O)NCCCn1nc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601198
(CHEMBL5186584)Show SMILES COCCCCn1cc(CN(C2CC2)C(=O)C2CNCCO2)c2ccccc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050862
(CHEMBL3322562)Show SMILES Cl.CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C28H31Cl2N5O3.ClH/c1-31-13-14-32-27(36)18-34(19-28(37)33(2)35-16-20-5-3-4-6-21(20)17-35)25-15-23(30)9-12-26(25)38-24-10-7-22(29)8-11-24;/h3-12,15,31H,13-14,16-19H2,1-2H3,(H,32,36);1H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601192
(CHEMBL5176733)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2c(C)cccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598965
(CHEMBL5188936)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598962
(CHEMBL5190224)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2c(C)ccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50105901
(CHEMBL3597832)Show SMILES Cl.CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33Cl2N5O3.ClH/c1-3-32-14-15-33-28(37)19-35(20-29(38)34(2)36-17-21-6-4-5-7-22(21)18-36)26-16-24(31)10-13-27(26)39-25-11-8-23(30)9-12-25;/h4-13,16,32H,3,14-15,17-20H2,1-2H3,(H,33,37);1H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601195
(CHEMBL5174842)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2cccc(C)c12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601199
(CHEMBL5170164)Show SMILES COC(=O)CCCCn1cc(CN(C2CC2)C(=O)C2CNCCO2)c2ccccc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM149462
(US8975252, 39)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| Show InChI InChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM149462
(US8975252, 39)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| Show InChI InChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050877
(CHEMBL3322547)Show SMILES CN(N1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C31H35Cl2N5O3/c1-35(38-19-23-6-2-3-7-24(23)20-38)31(40)22-37(21-30(39)34-14-17-36-15-4-5-16-36)28-18-26(33)10-13-29(28)41-27-11-8-25(32)9-12-27/h2-3,6-13,18H,4-5,14-17,19-22H2,1H3,(H,34,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601194
(CHEMBL5197721)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)cc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598960
(CHEMBL5176170)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601196
(CHEMBL5203591) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM149461
(US8975252, 4)Show SMILES COCCCOc1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)cc2ccccc12 |r| Show InChI InChI=1S/C23H30N2O4/c1-27-10-4-11-28-21-14-17(13-18-5-2-3-6-20(18)21)16-25(19-7-8-19)23(26)22-15-24-9-12-29-22/h2-3,5-6,13-14,19,22,24H,4,7-12,15-16H2,1H3/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598962
(CHEMBL5190224)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2c(C)ccnc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050874
(CHEMBL3322550)Show SMILES COC(=O)N1CCN(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N6O5/c1-33(37-17-15-35(16-18-37)29(40)41-2)28(39)21-36(20-27(38)32-11-14-34-12-3-4-13-34)25-19-23(31)7-10-26(25)42-24-8-5-22(30)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,32,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050875
(CHEMBL3322549)Show SMILES CN(N1CCN(CC1)S(C)(=O)=O)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C28H38Cl2N6O5S/c1-32(35-15-17-36(18-16-35)42(2,39)40)28(38)21-34(20-27(37)31-11-14-33-12-3-4-13-33)25-19-23(30)7-10-26(25)41-24-8-5-22(29)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,31,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50105907
(CHEMBL3597818)Show SMILES CC(C)N(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C36H44Cl2N4O5/c1-24(2)42(35(45)47-36(3,4)5)18-17-39-33(43)22-41(23-34(44)40(6)29-19-25-9-7-8-10-26(25)20-29)31-21-28(38)13-16-32(31)46-30-14-11-27(37)12-15-30/h7-16,21,24,29H,17-20,22-23H2,1-6H3,(H,39,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050884
(CHEMBL3322540)Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C32H36Cl2N4O3/c1-36(27-18-23-6-2-3-7-24(23)19-27)32(40)22-38(21-31(39)35-14-17-37-15-4-5-16-37)29-20-26(34)10-13-30(29)41-28-11-8-25(33)9-12-28/h2-3,6-13,20,27H,4-5,14-19,21-22H2,1H3,(H,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50601192
(CHEMBL5176733)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2c(C)cccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280 BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50105908
(CHEMBL3597817)Show SMILES CCN(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C35H42Cl2N4O5/c1-6-40(34(44)46-35(2,3)4)18-17-38-32(42)22-41(23-33(43)39(5)28-19-24-9-7-8-10-25(24)20-28)30-21-27(37)13-16-31(30)45-29-14-11-26(36)12-15-29/h7-16,21,28H,6,17-20,22-23H2,1-5H3,(H,38,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50105899
(CHEMBL3597816)Show SMILES CN(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H40Cl2N4O5/c1-34(2,3)45-33(43)38(4)17-16-37-31(41)21-40(22-32(42)39(5)27-18-23-8-6-7-9-24(23)19-27)29-20-26(36)12-15-30(29)44-28-13-10-25(35)11-14-28/h6-15,20,27H,16-19,21-22H2,1-5H3,(H,37,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018 BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this Ligand-Target Pair | |