BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Beta-casein'   
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
Beta-casein


(Rattus norvegicus)
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.141n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Rattus norvegicus)
BDBM50274049
PNG
(CHEMBL342062)
Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.209n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Rattus norvegicus)
BDBM50122826
PNG
((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.269n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Rattus norvegicus)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.363n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Bos taurus (bovine))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>1n/an/an/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-casein A1


Bioorg Med Chem 22: 4474-89 (2014)


Article DOI: 10.1016/j.bmc.2014.04.019
BindingDB Entry DOI: 10.7270/Q29K4CW0
More data for this
Ligand-Target Pair
Beta-casein


(Rattus norvegicus)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Rattus norvegicus)
BDBM50470945
PNG
(CHEMBL140450)
Show SMILES OC(CC=N)CC1CCN(CC1)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c22-13-10-18(24)16-17-11-14-23(15-12-17)20-8-4-5-9-21(20)25-19-6-2-1-3-7-19/h1-9,13,17-18,22,24H,10-12,14-16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay


J Med Chem 39: 4602-7 (1996)


Article DOI: 10.1021/jm960510x
BindingDB Entry DOI: 10.7270/Q29W0J6P
More data for this
Ligand-Target Pair
Beta-casein


(Bos taurus (bovine))
BDBM7781
PNG
(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)
Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



Instituto de Quimica Medica (CSIC)



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 45: 1292-9 (2002)


Article DOI: 10.1021/jm011020u
BindingDB Entry DOI: 10.7270/Q2P26WB1
More data for this
Ligand-Target Pair