BindingDB logo
myBDB logout

2 similar compounds to monomer 50057463

Compile data set for download or QSAR
Wt: 509.5
BDBM50073559
Wt: 523.6
BDBM50073562

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50073559,50073562   
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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14.7n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined towards Alpha-1B adrenergic receptor in the COS cell line.


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined towards Alpha-1A adrenergic receptor in the COS cell line.


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.11E+3n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined towards Alpha-1C adrenergic receptor in the COS cell line.


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073562
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C28H37N5O5/c1-17(2)18-9-8-10-21(35-5)24(18)38-28(3,4)26(34)32-11-13-33(14-12-32)27-30-20-16-23(37-7)22(36-6)15-19(20)25(29)31-27/h8-10,15-17H,11-14H2,1-7H3,(H2,29,30,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073562
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C28H37N5O5/c1-17(2)18-9-8-10-21(35-5)24(18)38-28(3,4)26(34)32-11-13-33(14-12-32)27-30-20-16-23(37-7)22(36-6)15-19(20)25(29)31-27/h8-10,15-17H,11-14H2,1-7H3,(H2,29,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50073562
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C28H37N5O5/c1-17(2)18-9-8-10-21(35-5)24(18)38-28(3,4)26(34)32-11-13-33(14-12-32)27-30-20-16-23(37-7)22(36-6)15-19(20)25(29)31-27/h8-10,15-17H,11-14H2,1-7H3,(H2,29,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50073559
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 (Inactive at >1000 nM concentration)


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair