Found 33 hits Enz. Inhib. hit(s) with Target = 'Carbonyl reductase [NADPH] 1' 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)) | BDBM50247677
((3S,8S)-14,16-dihydroxy-3,8-dimethyl-3,4,5,6,9,10-...)Show SMILES C[C@H]1CCCC(=O)[C@@H](C)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:11| Show InChI InChI=1S/C19H24O5/c1-12-6-3-4-8-14-10-15(20)11-17(22)18(14)19(23)24-13(2)7-5-9-16(12)21/h4,8,10-13,20,22H,3,5-7,9H2,1-2H3/b8-4+/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50073099
((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)Show SMILES C[C@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |w:7.8,9.10| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
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)) | BDBM50247677
((3S,8S)-14,16-dihydroxy-3,8-dimethyl-3,4,5,6,9,10-...)Show SMILES C[C@H]1CCCC(=O)[C@@H](C)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:11| Show InChI InChI=1S/C19H24O5/c1-12-6-3-4-8-14-10-15(20)11-17(22)18(14)19(23)24-13(2)7-5-9-16(12)21/h4,8,10-13,20,22H,3,5-7,9H2,1-2H3/b8-4+/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
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)) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
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 | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308752
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)Show InChI InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,12,19,21H,1-3H3,(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308752
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)Show InChI InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,12,19,21H,1-3H3,(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 788 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50241828
(CHEMBL4089817)Show InChI InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity against high affinity component of Adenosine A1 receptor from rat brain membranes using [3H]-DPCPX |
J Med Chem 60: 8441-8455 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308753
(3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazo...)Show InChI InChI=1S/C15H13N3O5/c1-23-15(22)16-6-5-8-11-12(18-17-8)13(20)7-3-2-4-9(19)10(7)14(11)21/h2-4,19H,5-6H2,1H3,(H,16,22)(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50073099
((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)Show SMILES C[C@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |w:7.8,9.10| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308751
(3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino...)Show SMILES CCN(c1ccccc1)c1cc(O)c2c(CC=NC(=O)OC)n[nH]c2c1O |w:16.16| Show InChI InChI=1S/C19H20N4O4/c1-3-23(12-7-5-4-6-8-12)14-11-15(24)16-13(9-10-20-19(26)27-2)21-22-17(16)18(14)25/h4-8,10-11,24-25H,3,9H2,1-2H3,(H,21,22) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308750
(3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamin...)Show SMILES COC(=O)N=CCc1n[nH]c2c(O)c(cc(O)c12)N(C)c1ccccc1 |w:5.5| Show InChI InChI=1S/C18H18N4O4/c1-22(11-6-4-3-5-7-11)13-10-14(23)15-12(8-9-19-18(25)26-2)20-21-16(15)17(13)24/h3-7,9-10,23-24H,8H2,1-2H3,(H,20,21) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50241817
(CHEMBL4081954)Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CBR1 using isatin as substrate |
J Med Chem 60: 8441-8455 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308754
(3-(Methyl-N-ethylcarbamate)-6,7-dichloro-5,8-dimet...)Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O Show InChI InChI=1S/C17H15Cl2N3O6/c1-26-15-8-9(16(27-2)11(19)10(15)18)14(24)12-7(13(8)23)6(21-22-12)4-5-20-17(25)28-3/h4-5H2,1-3H3,(H,20,25)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308750
(3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamin...)Show SMILES COC(=O)N=CCc1n[nH]c2c(O)c(cc(O)c12)N(C)c1ccccc1 |w:5.5| Show InChI InChI=1S/C18H18N4O4/c1-22(11-6-4-3-5-7-11)13-10-14(23)15-12(8-9-19-18(25)26-2)20-21-16(15)17(13)24/h3-7,9-10,23-24H,8H2,1-2H3,(H,20,21) | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308751
(3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino...)Show SMILES CCN(c1ccccc1)c1cc(O)c2c(CC=NC(=O)OC)n[nH]c2c1O |w:16.16| Show InChI InChI=1S/C19H20N4O4/c1-3-23(12-7-5-4-6-8-12)14-11-15(24)16-13(9-10-20-19(26)27-2)21-22-17(16)18(14)25/h4-8,10-11,24-25H,3,9H2,1-2H3,(H,21,22) | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308753
(3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazo...)Show InChI InChI=1S/C15H13N3O5/c1-23-15(22)16-6-5-8-11-12(18-17-8)13(20)7-3-2-4-9(19)10(7)14(11)21/h2-4,19H,5-6H2,1H3,(H,16,22)(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50308754
(3-(Methyl-N-ethylcarbamate)-6,7-dichloro-5,8-dimet...)Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O Show InChI InChI=1S/C17H15Cl2N3O6/c1-26-15-8-9(16(27-2)11(19)10(15)18)14(24)12-7(13(8)23)6(21-22-12)4-5-20-17(25)28-3/h4-5H2,1-3H3,(H,20,25)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Howard University
Curated by ChEMBL
| Assay Description Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem 18: 134-41 (2010)
Article DOI: 10.1016/j.bmc.2009.11.011 BindingDB Entry DOI: 10.7270/Q2XG9R7G |
More data for this Ligand-Target Pair | |