BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 366 hits from AstraZeneca R&D Boston   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
92n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093259
PNG
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)
Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292299
PNG
((5S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-...)
Show SMILES Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](CNc2ccon2)OC1=O
Show InChI InChI=1S/C17H15FN4O4/c1-10-6-15(26-20-10)13-3-2-11(7-14(13)18)22-9-12(25-17(22)23)8-19-16-4-5-24-21-16/h2-7,12H,8-9H2,1H3,(H,19,21)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
450n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093251
PNG
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093259
PNG
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)
Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292302
PNG
(CHEMBL390465 | N-(((S)-3-(3-fluoro-4-(3-methylisox...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(-c2cc(C)no2)c(F)c1
Show InChI InChI=1S/C16H16FN3O4/c1-9-5-15(24-19-9)13-4-3-11(6-14(13)17)20-8-12(23-16(20)22)7-18-10(2)21/h3-6,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093251
PNG
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292301
PNG
((5R)-5-((1H-1,2,3-triazol-1-yl)methyl)-3-(3-fluoro...)
Show SMILES Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C16H14FN5O3/c1-10-6-15(25-19-10)13-3-2-11(7-14(13)17)22-9-12(24-16(22)23)8-21-5-4-18-20-21/h2-7,12H,8-9H2,1H3/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093260
PNG
(CHEMBL133295 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H15NO2/c12-9-1-4-10(13-9)7-11-5-2-8(10)3-6-11/h8H,1-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093257
PNG
(CHEMBL131574 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1CC2(CN1)CN1CCC2CC1
Show InChI InChI=1S/C10H16N2O/c13-9-5-10(6-11-9)7-12-3-1-8(10)2-4-12/h8H,1-7H2,(H,11,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093256
PNG
(CHEMBL130205 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1NC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-9(6-13-8)5-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.40E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093252
PNG
(CHEMBL422259 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1NCC2(CN3CCC2CC3)N1
Show InChI InChI=1S/C9H15N3O/c13-8-10-5-9(11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2,(H2,10,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093252
PNG
(CHEMBL422259 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1NCC2(CN3CCC2CC3)N1
Show InChI InChI=1S/C9H15N3O/c13-8-10-5-9(11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2,(H2,10,11,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093258
PNG
(3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,4'-2H-t...)
Show SMILES CN1C(=O)NCC11CN2CCC1CC2
Show InChI InChI=1S/C10H17N3O/c1-12-9(14)11-6-10(12)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292300
PNG
((5R)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-...)
Show SMILES Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(-c3cc(C)no3)c(F)c2)nn1
Show InChI InChI=1S/C17H16FN5O3/c1-10-5-16(26-20-10)14-4-3-12(6-15(14)18)23-9-13(25-17(23)24)8-22-7-11(2)19-21-22/h3-7,13H,8-9H2,1-2H3/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.26E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093254
PNG
(CHEMBL336197 | Spiro[1-azabicyclo[2.2.2]octane-3,6...)
Show SMILES O=C1NCCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H16N2O2/c13-9-11-4-3-10(14-9)7-12-5-1-8(10)2-6-12/h8H,1-7H2,(H,11,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7; value range is 1000.


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor; value range is 1000.


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.20E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50093258
PNG
(3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,4'-2H-t...)
Show SMILES CN1C(=O)NCC11CN2CCC1CC2
Show InChI InChI=1S/C10H17N3O/c1-12-9(14)11-6-10(12)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 43: 4045-50 (2000)


Article DOI: 10.1021/jm000249r
BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12407
PNG
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12408
PNG
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50192281
PNG
(3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)prop...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C28H30ClN7O3/c1-38-24-14-22-23(15-25(24)39-12-6-11-36-9-3-2-4-10-36)32-18-33-26(22)34-21-16-30-28(31-17-21)35-27(37)19-7-5-8-20(29)13-19/h5,7-8,13-18H,2-4,6,9-12H2,1H3,(H,32,33,34)(H,30,31,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50192283
PNG
((S)-N-(5-(7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN1CCCCC1
Show InChI InChI=1S/C28H31N7O4/c1-38-24-12-22-23(13-25(24)39-17-21(36)16-35-10-6-3-7-11-35)31-18-32-26(22)33-20-14-29-28(30-15-20)34-27(37)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,18,21,36H,3,6-7,10-11,16-17H2,1H3,(H,31,32,33)(H,29,30,34,37)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50255518
PNG
(4-(3,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231666
PNG
(N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231665
PNG
(1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50255697
PNG
(4-(2,3-dichlorophenylamino)-6-(2-(dimethylamino)et...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN(C)C
Show InChI InChI=1S/C22H25Cl2N5O2/c1-4-31-19-11-17-13(10-18(19)26-8-9-29(2)3)21(14(12-27-17)22(25)30)28-16-7-5-6-15(23)20(16)24/h5-7,10-12,26H,4,8-9H2,1-3H3,(H2,25,30)(H,27,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50255695
PNG
(4-(2,3-dichlorophenylamino)-7-(2-(dimethylamino)et...)
Show SMILES COc1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1NCCN(C)C)C(N)=O
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)8-7-25-17-10-16-12(9-18(17)30-3)20(13(11-26-16)21(24)29)27-15-6-4-5-14(22)19(15)23/h4-6,9-11,25H,7-8H2,1-3H3,(H2,24,29)(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244725
PNG
(2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244726
PNG
(2-chloro-5-[(3,4-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-15-6-4-12(24-18(26)11-3-5-16(21)17(22)8-11)9-14(15)19(27)25-13-2-1-7-23-10-13/h1-10H,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50255517
PNG
(4-(2,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3Cl)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244783
PNG
(2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thia...)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243624
PNG
((R)-1-(3-(azepan-3-ylcarbamoyl)-5-phenylthiophen-2...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@@H]1CCCCNC1)-c1ccccc1
Show InChI InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(10-15(25-17)12-6-2-1-3-7-12)16(23)21-13-8-4-5-9-20-11-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,21,23)(H3,19,22,24)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12405
PNG
(CHEMBL381724 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H29N7O4/c1-36-23-14-21-22(15-24(23)38-11-5-8-34-9-12-37-13-10-34)30-18-31-25(21)32-20-16-28-27(29-17-20)33-26(35)19-6-3-2-4-7-19/h2-4,6-7,14-18H,5,8-13H2,1H3,(H,30,31,32)(H,28,29,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)


Article DOI: 10.1021/jm060522a
BindingDB Entry DOI: 10.7270/Q2QZ29KW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243148
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-y...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-10(7-12(23-14)11-4-2-6-22-11)13(20)18-9-3-1-5-17-8-9/h2,4,6-7,9,17H,1,3,5,8H2,(H,18,20)(H3,16,19,21)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50255594
PNG
(4-(2,3-dichlorophenylamino)-7-fluoro-6-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1F)C(N)=O
Show InChI InChI=1S/C21H20Cl2FN5O/c1-28-5-7-29(8-6-28)18-9-12-17(10-15(18)24)26-11-13(21(25)30)20(12)27-16-4-2-3-14(22)19(16)23/h2-4,9-11H,5-8H2,1H3,(H2,25,30)(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244781
PNG
(2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244843
PNG
(2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thi...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1
Show InChI InChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50244844
PNG
(5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methy...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2C)s1
Show InChI InChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 366 total )  |  Next  |  Last  >>
Jump to: