BindingDB logo
myBDB logout

6 similar compounds to monomer 50220747

Compile data set for download or QSAR
Wt: 307.3
BDBM50220740
Wt: 472.4
BDBM50220742
Wt: 480.4
BDBM50220745
Wt: 488.5
BDBM50220739
Wt: 314.3
BDBM50220736
Wt: 437.5
BDBM50220737

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50220740,50220742,50220745,50220739,50220736,50220737   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H28F4N4O3/c1-15(2)17-13-27-21(32)30(20(17)31)7-3-6-28-8-10-29(11-9-28)18-5-4-16(23)12-19(18)33-14-22(24,25)26/h4-5,12-13,15H,3,6-11,14H2,1-2H3,(H,27,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220745
PNG
(CHEMBL301650)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C20H22F6N4O3/c21-19(22,23)13-33-16-5-2-1-4-15(16)29-10-8-28(9-11-29)6-3-7-30-17(31)14(20(24,25)26)12-27-18(30)32/h1-2,4-5,12H,3,6-11,13H2,(H,27,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220745
PNG
(CHEMBL301650)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C20H22F6N4O3/c21-19(22,23)13-33-16-5-2-1-4-15(16)29-10-8-28(9-11-29)6-3-7-30-17(31)14(20(24,25)26)12-27-18(30)32/h1-2,4-5,12H,3,6-11,13H2,(H,27,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H28F4N4O3/c1-15(2)17-13-27-21(32)30(20(17)31)7-3-6-28-8-10-29(11-9-28)18-5-4-16(23)12-19(18)33-14-22(24,25)26/h4-5,12-13,15H,3,6-11,14H2,1-2H3,(H,27,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50220736
PNG
(CHALEPIN | Chalepin)
Show SMILES CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C
Show InChI InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50220739
PNG
(CHEMBL430999)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](Cc2ccc(CN)cc2)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C25H36N4O6/c1-15(2)21(16(3)4)35-25(34)28-11-9-27(10-12-28)24(33)29-20(23(31)32)19(22(29)30)13-17-5-7-18(14-26)8-6-17/h5-8,15-16,19-21H,9-14,26H2,1-4H3,(H,31,32)/t19-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 211n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50220737
PNG
(CHEMBL308109)
Show SMILES CC(C)(C)CNC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O
Show InChI InChI=1S/C21H35N5O5/c1-21(2,3)13-23-19(30)24-8-10-25(11-9-24)20(31)26-16(18(28)29)15(17(26)27)12-14-4-6-22-7-5-14/h14-16,22H,4-13H2,1-3H3,(H,23,30)(H,28,29)/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Hdac5 protein


(Rattus norvegicus)
BDBM50220740
PNG
(CHEMBL55974)
Show SMILES C[C@H](CCCCC(=O)NO)NC(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H25N3O3/c1-12(6-4-5-7-15(20)18-22)17-16(21)13-8-10-14(11-9-13)19(2)3/h8-12,22H,4-7H2,1-3H3,(H,17,21)(H,18,20)/t12-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 359n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00284-1
More data for this
Ligand-Target Pair