BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 743 hits with Last Name = 'suckling' and Initial = 'cj'   
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
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464108
PNG
(CHEMBL4241824)
Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464104
PNG
(CHEMBL4244784)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1
Show InChI InChI=1S/C28H37N3O3/c32-27(33)16-25(23-4-1-3-22(15-23)24-11-14-34-19-24)18-31-13-10-20(17-31)6-8-26-9-7-21-5-2-12-29-28(21)30-26/h1,3-4,7,9,15,20,24-25H,2,5-6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,24?,25-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464110
PNG
(CHEMBL4238909)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0251n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464123
PNG
(CHEMBL4242263)
Show SMILES Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C33H44N6O3/c1-23-16-24(2)39(36-23)31-18-27(17-30(20-31)38-12-14-42-15-13-38)28(19-32(40)41)22-37-11-9-25(21-37)5-7-29-8-6-26-4-3-10-34-33(26)35-29/h6,8,16-18,20,25,28H,3-5,7,9-15,19,21-22H2,1-2H3,(H,34,35)(H,40,41)/t25-,28-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0316n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464118
PNG
(CHEMBL4249172)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1
Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0398n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464108
PNG
(CHEMBL4241824)
Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0398n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464119
PNG
(CHEMBL4241584)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1
Show InChI InChI=1S/C26H32N6O2/c33-25(34)16-22(21-3-1-5-24(15-21)32-14-12-28-30-32)18-31-13-10-19(17-31)6-8-23-9-7-20-4-2-11-27-26(20)29-23/h1,3,5,7,9,12,14-15,19,22H,2,4,6,8,10-11,13,16-18H2,(H,27,29)(H,33,34)/t19-,22-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0398n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464124
PNG
(CHEMBL4249629)
Show SMILES Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C29H37N5O2/c1-19-28(32-20(2)31-19)24-6-3-5-23(15-24)25(16-27(35)36)18-34-14-12-21(17-34)8-10-26-11-9-22-7-4-13-30-29(22)33-26/h3,5-6,9,11,15,21,25H,4,7-8,10,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)(H,35,36)/t21-,25-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0398n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464120
PNG
(CHEMBL4237919)
Show SMILES Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C27H34N6O2/c1-19-31-29-18-33(19)25-6-2-4-22(14-25)23(15-26(34)35)17-32-13-11-20(16-32)7-9-24-10-8-21-5-3-12-28-27(21)30-24/h2,4,6,8,10,14,18,20,23H,3,5,7,9,11-13,15-17H2,1H3,(H,28,30)(H,34,35)/t20-,23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0501n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464113
PNG
(CHEMBL4239085)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1
Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0631n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464100
PNG
(CHEMBL4243367)
Show SMILES Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C28H35N5O2/c1-20-11-14-30-33(20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-15-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)31-25/h2,4,6,8,10-11,14,16,21,24H,3,5,7,9,12-13,15,17-19H2,1H3,(H,29,31)(H,34,35)/t21-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0631n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464110
PNG
(CHEMBL4238909)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0631n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464097
PNG
(CHEMBL4237868)
Show SMILES Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C28H36N6O2/c1-19-30-20(2)34(32-19)26-7-3-5-23(15-26)24(16-27(35)36)18-33-14-12-21(17-33)8-10-25-11-9-22-6-4-13-29-28(22)31-25/h3,5,7,9,11,15,21,24H,4,6,8,10,12-14,16-18H2,1-2H3,(H,29,31)(H,35,36)/t21-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0631n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464112
PNG
(CHEMBL4248589)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1
Show InChI InChI=1S/C31H42N4O3/c36-30(37)19-27(26-16-25(23-4-5-23)17-29(18-26)35-12-14-38-15-13-35)21-34-11-9-22(20-34)3-7-28-8-6-24-2-1-10-32-31(24)33-28/h6,8,16-18,22-23,27H,1-5,7,9-15,19-21H2,(H,32,33)(H,36,37)/t22-,27-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0794n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464098
PNG
(CHEMBL4242635)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1
Show InChI InChI=1S/C27H35N3O2/c31-26(32)16-24(23-4-1-3-22(15-23)20-7-8-20)18-30-14-12-19(17-30)6-10-25-11-9-21-5-2-13-28-27(21)29-25/h1,3-4,9,11,15,19-20,24H,2,5-8,10,12-14,16-18H2,(H,28,29)(H,31,32)/t19-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0794n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464115
PNG
(CHEMBL4247149)
Show SMILES Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O
Show InChI InChI=1S/C28H35N5O2/c1-20-11-15-33(31-20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-14-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)30-25/h2,4,6,8,10-11,15-16,21,24H,3,5,7,9,12-14,17-19H2,1H3,(H,29,30)(H,34,35)/t21-,24-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0794n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464102
PNG
(CHEMBL4251444)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1
Show InChI InChI=1S/C27H33N5O2/c33-26(34)17-23(22-4-1-6-25(16-22)32-14-3-13-29-32)19-31-15-11-20(18-31)7-9-24-10-8-21-5-2-12-28-27(21)30-24/h1,3-4,6,8,10,13-14,16,20,23H,2,5,7,9,11-12,15,17-19H2,(H,28,30)(H,33,34)/t20-,23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50464126
PNG
(CHEMBL3356154)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H19Cl2N5O4/c20-12-4-11(5-13(21)7-12)15(8-17(28)29)26-16(27)9-24-18(30)10-2-1-3-14(6-10)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting


J Med Chem 61: 8417-8443 (2018)


BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206172
PNG
(1-(benzo[d][1,3]dioxol-5-ylmethyl)-2,3,4,9-tetrahy...)
Show SMILES C(C1NCCc2c1[nH]c1ccccc21)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H18N2O2/c1-2-4-15-13(3-1)14-7-8-20-16(19(14)21-15)9-12-5-6-17-18(10-12)23-11-22-17/h1-6,10,16,20-21H,7-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206189
PNG
(1-(2-(propylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)
Show SMILES CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2S/c1-2-13-24-20-10-6-3-7-15(20)14-19-21-17(11-12-22-19)16-8-4-5-9-18(16)23-21/h3-10,19,22-23H,2,11-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206163
PNG
(1-(3-Methoxy-benzyl)-2,3,4,9-tetrahydro-1H-beta-ca...)
Show SMILES COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1
Show InChI InChI=1S/C19H20N2O/c1-22-14-6-4-5-13(11-14)12-18-19-16(9-10-20-18)15-7-2-3-8-17(15)21-19/h2-8,11,18,20-21H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206164
PNG
(1-(2-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)
Show SMILES CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C19H20N2S/c1-22-18-9-5-2-6-13(18)12-17-19-15(10-11-20-17)14-7-3-4-8-16(14)21-19/h2-9,17,20-21H,10-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206169
PNG
(1-(benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxy-2,3,4...)
Show SMILES COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1
Show InChI InChI=1S/C20H20N2O3/c1-23-13-3-4-16-15(10-13)14-6-7-21-17(20(14)22-16)8-12-2-5-18-19(9-12)25-11-24-18/h2-5,9-10,17,21-22H,6-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
39n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206175
PNG
(1-(3-methoxybenzyl)-6-methoxy-2,3,4,9-tetrahydro-1...)
Show SMILES COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1
Show InChI InChI=1S/C20H22N2O2/c1-23-14-5-3-4-13(10-14)11-19-20-16(8-9-21-19)17-12-15(24-2)6-7-18(17)22-20/h3-7,10,12,19,21-22H,8-9,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206186
PNG
(2-fluoro-6-((2,3,4,9-tetrahydro-1H-pyrido[3,4-b]in...)
Show SMILES Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C18H17FN2O/c19-14-6-3-4-11(18(14)22)10-16-17-13(8-9-20-16)12-5-1-2-7-15(12)21-17/h1-7,16,20-22H,8-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257823
PNG
(CHEMBL4089551)
Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBa...


J Med Chem 60: 7043-7066 (2017)


BindingDB Entry DOI: 10.7270/Q2M90C4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206168
PNG
(2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES COc1cc2CC3N(C)CCc4cc(OC)c(O)c(-c2cc1O)c34
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206183
PNG
((E)-6-((benzyl(methyl)amino)methyleneamino)-2,3-di...)
Show SMILES CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-15(23)24-20-11-9-17-8-10-18(12-19(17)20)21-14-22(2)13-16-6-4-3-5-7-16/h3-8,10,12,14,20H,9,11,13H2,1-2H3/b21-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206178
PNG
((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1
Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50257884
PNG
(CHEMBL4065551)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...


J Med Chem 60: 7043-7066 (2017)


BindingDB Entry DOI: 10.7270/Q2M90C4N
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF3 expressed in bacterial expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206161
PNG
(1-(4-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)
Show SMILES CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1
Show InChI InChI=1S/C19H20N2S/c1-22-14-8-6-13(7-9-14)12-18-19-16(10-11-20-18)15-4-2-3-5-17(15)21-19/h2-9,18,20-21H,10-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206174
PNG
((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1
Show InChI InChI=1S/C23H26N2O4/c1-15(26)29-21-7-5-16-4-6-19(12-20(16)21)24-14-25-9-8-17-10-22(27-2)23(28-3)11-18(17)13-25/h4,6,10-12,14,21H,5,7-9,13H2,1-3H3/b24-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206173
PNG
((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1
Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206190
PNG
((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1
Show InChI InChI=1S/C25H30N2O4/c1-17(28)31-23-7-5-4-6-18-8-9-21(14-22(18)23)26-16-27-11-10-19-12-24(29-2)25(30-3)13-20(19)15-27/h8-9,12-14,16,23H,4-7,10-11,15H2,1-3H3/b26-16+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206165
PNG
((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1
Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206162
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1
Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303504
PNG
(2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...)
Show SMILES CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C
Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206162
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1
Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206177
PNG
((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1
Show InChI InChI=1S/C23H28N2O3/c1-27-22-11-17-9-10-25(14-18(17)12-23(22)28-2)15-24-19-8-7-16-5-3-4-6-21(26)20(16)13-19/h7-8,11-13,15,21,26H,3-6,9-10,14H2,1-2H3/b24-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206184
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1
Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50257927
PNG
(CHEMBL4061406)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H11N5O2S/c1-22(20,21)10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7H,1H3,(H3,16,17,18,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
300n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...


J Med Chem 60: 7043-7066 (2017)


BindingDB Entry DOI: 10.7270/Q2M90C4N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206192
PNG
((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1
Show InChI InChI=1S/C21H24N2O3/c1-25-20-9-15-7-8-23(12-16(15)10-21(20)26-2)13-22-17-5-3-14-4-6-19(24)18(14)11-17/h3,5,9-11,13,19,24H,4,6-8,12H2,1-2H3/b22-13+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50257824
PNG
(CHEMBL4074174)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
400n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...


J Med Chem 60: 7043-7066 (2017)


BindingDB Entry DOI: 10.7270/Q2M90C4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206165
PNG
((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1
Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 743 total )  |  Next  |  Last  >>
Jump to: