BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 87 hits from Chugai Pharmaceutical Co. Ltd.   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344644
PNG
(8-(2-(diethylamino)ethoxy)-3-ethoxy-6,6-dimethylbe...)
Show SMILES CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
Show InChI InChI=1S/C26H31NO4/c1-6-27(7-2)13-14-30-17-9-11-19-21(15-17)26(4,5)25-23(24(19)28)20-12-10-18(29-8-3)16-22(20)31-25/h9-12,15-16H,6-8,13-14H2,1-5H3
PDB

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



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344662
PNG
(8-(4-isopropylpiperazin-1-yl)-6,6-dimethyl-11-oxo-...)
Show SMILES CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C26H28N4O/c1-16(2)29-9-11-30(12-10-29)18-6-8-19-21(14-18)26(3,4)25-23(24(19)31)20-7-5-17(15-27)13-22(20)28-25/h5-8,13-14,16,28H,9-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344655
PNG
(8-[2-(1,1-Dioxo-1lambda-6-thiomorpholin-4-yl)-etho...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCS(=O)(=O)CC3)cc12)C#N
Show InChI InChI=1S/C25H25N3O4S/c1-25(2)20-14-17(32-10-7-28-8-11-33(30,31)12-9-28)4-6-18(20)23(29)22-19-5-3-16(15-26)13-21(19)27-24(22)25/h3-6,13-14,27H,7-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108830
PNG
(2-Amino-N-[6-(3-tert-butyl-4-hydroxy-benzyl)-2,5,8...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C30H41N5O5/c1-30(2,3)21-15-20(12-13-25(21)36)17-24-28(39)33-18-26(37)32-14-8-7-11-23(29(40)35-24)34-27(38)22(31)16-19-9-5-4-6-10-19/h4-6,9-10,12-13,15,22-24,36H,7-8,11,14,16-18,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344654
PNG
(8-(2-(diethylamino)ethoxy)-6,6-dimethyl-11-oxo-6,1...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C25H27N3O2/c1-5-28(6-2)11-12-30-17-8-10-18-20(14-17)25(3,4)24-22(23(18)29)19-9-7-16(15-26)13-21(19)27-24/h7-10,13-14,27H,5-6,11-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108832
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens)
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT1 activity in LCB1 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens)
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT2 activity in LCB2 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344660
PNG
(8-(4-hydroxypiperidin-1-yl)-6,6-dimethyl-11-oxo-6,...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(O)CC1)C#N
Show InChI InChI=1S/C24H23N3O2/c1-24(2)19-12-15(27-9-7-16(28)8-10-27)4-6-17(19)22(29)21-18-5-3-14(13-25)11-20(18)26-23(21)24/h3-6,11-12,16,26,28H,7-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11.4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344656
PNG
(CHEMBL1779194 | N-(2-(3-cyano-6,6-dimethyl-11-oxo-...)
Show SMILES CC(=O)NCCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C23H21N3O3/c1-13(27)25-8-9-29-15-5-7-16-18(11-15)23(2,3)22-20(21(16)28)17-6-4-14(12-24)10-19(17)26-22/h4-7,10-11,26H,8-9H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11.6n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108833
PNG
(2-Amino-N-[3-(3-tert-butyl-4-hydroxy-benzyl)-2,5,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C34H49N5O5/c1-34(2,3)25-20-24(16-17-29(25)40)22-28-32(43)37-19-10-5-8-15-30(41)36-18-11-9-14-27(33(44)39-28)38-31(42)26(35)21-23-12-6-4-7-13-23/h4,6-7,12-13,16-17,20,26-28,40H,5,8-11,14-15,18-19,21-22,35H2,1-3H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344659
PNG
(6,6-dimethyl-8-morpholino-11-oxo-6,11-dihydro-5H-b...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCOCC1)C#N
Show InChI InChI=1S/C23H21N3O2/c1-23(2)18-12-15(26-7-9-28-10-8-26)4-6-16(18)21(27)20-17-5-3-14(13-24)11-19(17)25-22(20)23/h3-6,11-12,25H,7-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344657
PNG
(1-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNC(N)=O)cc12)C#N
Show InChI InChI=1S/C22H20N4O3/c1-22(2)16-10-13(29-8-7-25-21(24)28)4-6-14(16)19(27)18-15-5-3-12(11-23)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8H2,1-2H3,(H3,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 26.2n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344663
PNG
(6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108830
PNG
(2-Amino-N-[6-(3-tert-butyl-4-hydroxy-benzyl)-2,5,8...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C30H41N5O5/c1-30(2,3)21-15-20(12-13-25(21)36)17-24-28(39)33-18-26(37)32-14-8-7-11-23(29(40)35-24)34-27(38)22(31)16-19-9-5-4-6-10-19/h4-6,9-10,12-13,15,22-24,36H,7-8,11,14,16-18,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108829
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,8,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C32H45N5O5/c1-32(2,3)23-18-22(14-15-27(23)38)20-26-30(41)35-17-9-13-28(39)34-16-8-7-12-25(31(42)37-26)36-29(40)24(33)19-21-10-5-4-6-11-21/h4-6,10-11,14-15,18,24-26,38H,7-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344658
PNG
(6,6-dimethyl-11-oxo-8-(piperidin-1-yl)-6,11-dihydr...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCCCC1)C#N
Show InChI InChI=1S/C24H23N3O/c1-24(2)19-13-16(27-10-4-3-5-11-27)7-9-17(19)22(28)21-18-8-6-15(14-25)12-20(18)26-23(21)24/h6-9,12-13,26H,3-5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 33.4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344661
PNG
(6,6-dimethyl-8-(4-(methylsulfonyl)piperazin-1-yl)-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)19-13-16(27-8-10-28(11-9-27)32(3,30)31)5-7-17(19)22(29)21-18-6-4-15(14-25)12-20(18)26-23(21)24/h4-7,12-13,26H,8-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 37.4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344653
PNG
(3-chloro-8-(2-(diethylamino)ethoxy)-6,6-dimethyl-5...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(Cl)ccc34)C(C)(C)c2c1
Show InChI InChI=1S/C24H27ClN2O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108829
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,8,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C32H45N5O5/c1-32(2,3)23-18-22(14-15-27(23)38)20-26-30(41)35-17-9-13-28(39)34-16-8-7-12-25(31(42)37-26)36-29(40)24(33)19-21-10-5-4-6-11-21/h4-6,10-11,14-15,18,24-26,38H,7-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108833
PNG
(2-Amino-N-[3-(3-tert-butyl-4-hydroxy-benzyl)-2,5,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C34H49N5O5/c1-34(2,3)25-20-24(16-17-29(25)40)22-28-32(43)37-19-10-5-8-15-30(41)36-18-11-9-14-27(33(44)39-28)38-31(42)26(35)21-23-12-6-4-7-13-23/h4,6-7,12-13,16-17,20,26-28,40H,5,8-11,14-15,18-19,21-22,35H2,1-3H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344652
PNG
(8-(2-(diethylamino)ethoxy)-6,6-dimethyl-3-nitro-5H...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)[N+]([O-])=O)C(C)(C)c2c1
Show InChI InChI=1S/C24H27N3O4/c1-5-26(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(27(29)30)13-20(18)25-23/h7-10,13-14,25H,5-6,11-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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 96n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344651
PNG
(3-bromo-8-(2-(diethylamino)ethoxy)-6,6-dimethyl-5H...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(Br)ccc34)C(C)(C)c2c1
Show InChI InChI=1S/C24H27BrN2O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220939
PNG
(6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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 120n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50220934
PNG
(3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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 170n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Src assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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 250n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220936
PNG
(5-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-6-7-23-10-12-27(13-11-23)39-20-5-4-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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 300n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220934
PNG
(3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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 300n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of INSR assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220945
PNG
(5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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 330n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220945
PNG
(5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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 350n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220940
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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 350n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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 360n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Abl assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220933
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C34H53F5O4/c1-31-18-15-25(40)21-24(31)20-23(29-26-13-14-28(41)32(26,2)19-16-27(29)31)11-8-6-4-3-5-7-10-22(30(42)43)12-9-17-33(35,36)34(37,38)39/h22-24,26-29,41H,3-21H2,1-2H3,(H,42,43)/t22?,23-,24+,26+,27+,28+,29+,31+,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220947
PNG
(6-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-19-16-28(37)24-27(34)23-26(33-30(34)17-20-35(2)31(33)18-21-36(35,3)40)10-7-6-9-25-12-14-29(15-13-25)41-22-8-4-5-11-32(38)39/h12-15,24,26,30-31,33,40H,4-11,16-23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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 420n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220943
PNG
(4-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C33H46O5/c1-31-16-13-25(34)21-24(31)20-23(30-27(31)14-17-32(2)28(30)15-18-33(32,3)37)7-4-6-22-9-11-26(12-10-22)38-19-5-8-29(35)36/h9-12,21,23,27-28,30,37H,4-8,13-20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/m1/s1
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 430n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108836
PNG
(2-Amino-N-[2-(3,5-di-tert-butyl-4-hydroxy-benzyl)-...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C35H51N5O5/c1-34(2,3)24-18-23(19-25(30(24)42)35(4,5)6)21-28-32(44)38-17-15-29(41)37-16-11-10-14-27(33(45)40-28)39-31(43)26(36)20-22-12-8-7-9-13-22/h7-9,12-13,18-19,26-28,42H,10-11,14-17,20-21,36H2,1-6H3,(H,37,41)(H,38,44)(H,39,43)(H,40,45)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108837
PNG
(2-Amino-N-[2-(4-sec-butoxy-benzyl)-3,7,14-trioxo-1...)
Show SMILES CCC(C)Oc1ccc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H43N5O5/c1-3-21(2)41-24-14-12-23(13-15-24)20-27-30(39)34-18-16-28(37)33-17-8-7-11-26(31(40)36-27)35-29(38)25(32)19-22-9-5-4-6-10-22/h4-6,9-10,12-15,21,25-27H,3,7-8,11,16-20,32H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,36,40)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


Article DOI: 10.1021/jm010332u
BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220939
PNG
(6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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 530n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>
Jump to: