BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Carbonyl reductase [NADPH] 1'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50247677
PNG
((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
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
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 210n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 400n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 670n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308752
PNG
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)N1NC(c2c1ncnc2N)c1cccc(O)c1
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
AffyNet 
Article
PubMed
n/an/a 759n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308752
PNG
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)N1NC(c2c1ncnc2N)c1cccc(O)c1
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
AffyNet 
Article
PubMed
n/an/a 788n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308753
PNG
(3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazo...)
Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(O)cccc1C2=O
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
AffyNet 
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50073099
PNG
((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
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 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.27E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
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
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 3.78E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308750
PNG
(3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamin...)
Show SMILES COC(=O)N=CCc1n[nH]c2c(O)c(cc(O)c12)N(C)c1ccccc1
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

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308751
PNG
(3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino...)
Show SMILES CCN(c1ccccc1)c1cc(O)c2c(CC=NC(=O)OC)n[nH]c2c1O
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

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308754
PNG
(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
AffyNet 
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308750
PNG
(3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamin...)
Show SMILES COC(=O)N=CCc1n[nH]c2c(O)c(cc(O)c12)N(C)c1ccccc1
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

AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308751
PNG
(3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino...)
Show SMILES CCN(c1ccccc1)c1cc(O)c2c(CC=NC(=O)OC)n[nH]c2c1O
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

AffyNet 
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308753
PNG
(3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazo...)
Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(O)cccc1C2=O
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
AffyNet 
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50308754
PNG
(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
AffyNet 
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50247677
PNG
((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
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
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
40n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
60n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
110n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50073099
PNG
((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
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 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
520n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
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
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
600n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
2.03E+3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
3.43E+3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair