Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50010918 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 |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543400
(CHEMBL4640248)Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543404
(CHEMBL4640154)Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543405
(CHEMBL4639417)Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543397
(CHEMBL4646593)Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543399
(CHEMBL4648793)Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543402
(CHEMBL4634960)Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50543401
(CHEMBL4644092)Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CBR1 (unknown origin) |
J Med Chem 63: 10396-10411 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN |
More data for this Ligand-Target Pair | |