BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'fernandes' and Initial = 'gfs'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50516759
PNG
(CHEMBL4458610)
Show SMILES CCc1cccc(Nc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2)c1 |r|
Show InChI InChI=1S/C21H30BN3O4/c1-4-16-6-5-7-17(13-16)23-18-8-10-25(21(27)14-18)11-9-20(26)24-19(22(28)29)12-15(2)3/h5-8,10,13-15,19,23,28-29H,4,9,11-12H2,1-3H3,(H,24,26)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 17n/an/an/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of human chymotrypsin-like activity of 20S proteasome (unknown origin)

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50516761
PNG
(CHEMBL3286879)
Show SMILES OB(O)c1sc2ccccc2c1\C=C\C(O)=O
Show InChI InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
 40n/an/an/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of bacterial beta lactamase TEM-1

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50615159
PNG
(CHEMBL5278664)
Show SMILES C[C@@H]1[C@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM255614
PNG
(US9499570, D140)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C18H19BN2O5/c1-12(2)23-7-8-24-18-13(10-20)3-6-17(21-18)26-15-4-5-16-14(9-15)11-25-19(16)22/h3-6,9,12,22H,7-8,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant PDE4B catalytic domain (152 to 484 residues)

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50516760
PNG
(CHEMBL4526356)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H])B(O)O |r|
Show InChI InChI=1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Selective estrogen receptor down regulator activity at ERalpha (unknown origin)

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))		BDBM50516758
PNG
(CHEMBL4444471 | US11542283, Compound V-9A)
Show SMILES CSC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1 |r|
Show InChI InChI=1S/C20H30BCl2N3O4S/c1-13(2)10-18(21-29-8-6-24-7-9-30-21)26-20(28)17(12-31-3)25-19(27)15-11-14(22)4-5-16(15)23/h4-5,11,13,17-18,24H,6-10,12H2,1-3H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of human chymotrypsin-like activity of 20S proteasome (unknown origin)

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)		BDBM50517949
PNG
(CHEMBL4447540)
Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50589215
PNG
(CHEMBL5190515)
Show SMILES CCS(=O)(=O)N1N=Cc2ccc(Oc3ccc(cc3\C=N\O)C(F)(F)F)cc2B1O |c:6|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50517949
PNG
(CHEMBL4447540)
Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polyketide synthase Pks13


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50520948
PNG
(CHEMBL4443524)
Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50598090
PNG
(CHEMBL5207531)
Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2ccc(Br)cc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50598090
PNG
(CHEMBL5207531)
Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2ccc(Br)cc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50598090
PNG
(CHEMBL5207531)
Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2ccc(Br)cc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50615160
PNG
(CHEMBL5289568)
Show SMILES COc1ccc(cc1)C1CC2(CN(CC(O)=O)C(=O)O2)c2cc(Br)ccc2O1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
n/an/a 650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598093
PNG
(CHEMBL5199365)
Show SMILES CCSc1ncc(CN2CCN(CC2)c2nc3ccccc3o2)cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598086
PNG
(CHEMBL5181337)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CC3)OCCc3sccc43)cc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50516762
PNG
(CHEMBL4474485)
Show SMILES OB1N(Cc2ccccc2)N=Cc2ccsc12 |c:11|
Show InChI InChI=1S/C12H11BN2OS/c16-13-12-11(6-7-17-12)8-14-15(13)9-10-4-2-1-3-5-10/h1-8,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil Elastase

Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50615161
PNG
(CHEMBL5279118)
Show SMILES COc1cc(COc2ccccc2C2(C)CN(CC(O)=O)C(=O)O2)cc(OC)c1OC
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.19E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
O43924/P16499/P18545/P35913/P51160/Q13956


(Homo sapiens (Human))		BDBM50019654
PNG
(CHEMBL3109802)
Show SMILES COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C
Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

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


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50520948
PNG
(CHEMBL4443524)
Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50615162
PNG
(CHEMBL5286328)
Show SMILES [H][C@]12C[C@]3([H])OC(C)(C)O[C@]3([H])[C@@H](O)[C@@]1([H])NC(=O)O2 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.48E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50598092
PNG
(CHEMBL4473719)
Show SMILES CC(C)c1ccc(cc1)-c1nc(CN2CCN(CC2)c2ccnc3cc(ccc23)-c2cccnc2)no1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598091
PNG
(CHEMBL3612958)
Show SMILES COc1ccn2nc(C)c(C(=O)NCc3ccc(cc3)N3CCC(CC3)c3ccc(OC(F)(F)F)cc3)c2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50583310
PNG
(CHEMBL5082711)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50517949
PNG
(CHEMBL4447540)
Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50583310
PNG
(CHEMBL5082711)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50615162
PNG
(CHEMBL5286328)
Show SMILES [H][C@]12C[C@]3([H])OC(C)(C)O[C@]3([H])[C@@H](O)[C@@]1([H])NC(=O)O2 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.05E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50615162
PNG
(CHEMBL5286328)
Show SMILES [H][C@]12C[C@]3([H])OC(C)(C)O[C@]3([H])[C@@H](O)[C@@]1([H])NC(=O)O2 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.56E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598089
PNG
(CHEMBL5186224)
Show SMILES Cc1csc(n1)[C@](C)(O)c1nnc(Nc2ccn(Cc3csc(C)n3)n2)s1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598087
PNG
(CHEMBL5181555)
Show SMILES Cc1n[nH]c2ccc(NS(=O)(=O)CCCCF)cc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50598088
PNG
(CHEMBL2098221 | GSK3011724A | TCMDC-142399)
Show SMILES CCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50615162
PNG
(CHEMBL5286328)
Show SMILES [H][C@]12C[C@]3([H])OC(C)(C)O[C@]3([H])[C@@H](O)[C@@]1([H])NC(=O)O2 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.87E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair