BindingDB logo
myBDB logout

77 similar compounds to monomer 50152097

Wt: 473.6
BDBM50150589
Purchase
Wt: 501.7
BDBM50152105
Wt: 517.7
BDBM50152118
Wt: 503.6
BDBM50152123
Wt: 486.6
BDBM50152146
Wt: 311.1
BDBM50150578
Wt: 315.5
BDBM50150579
Wt: 331.1
BDBM50150581
Wt: 113.2
BDBM50152094
Wt: 196.2
BDBM50152136
Wt: 331.1
BDBM50150627
Wt: 309.4
BDBM50150633
Wt: 467.3
BDBM50152102
Wt: 464.3
BDBM50152104
Wt: 534.5
BDBM50152107
Displayed 1 to 15 (of 75 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50150589,50152105,50152118,50152123,50152146,50150578,50150579,50150581,50152094,50152136,50150627,50150633,50152102,50152104,50152107   
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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.85E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2
Show InChI InChI=1/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2
Show InChI InChI=1/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50152104
PNG
(CHEMBL3780960)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2ccc3cc(ccc3c12)C1CC1
Show InChI InChI=1S/C26H23Cl2N3O/c27-19-8-11-23(22(28)15-19)31-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-31)26(32)30-12-2-1-3-13-30/h6-11,14-16H,1-5,12-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50152104
PNG
(CHEMBL3780960)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2ccc3cc(ccc3c12)C1CC1
Show InChI InChI=1S/C26H23Cl2N3O/c27-19-8-11-23(22(28)15-19)31-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-31)26(32)30-12-2-1-3-13-30/h6-11,14-16H,1-5,12-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Citation and Details
More data for this
Ligand-Target Pair
Spermidine synthase


(Sus scrofa)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1
Show InChI InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine spermidine synthase assessed as production of labeled 5'-methylthioadenosine using putrescine as substrate by enzymatic assay i...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 294n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptors expressed in human Chem4 cell membrane incubated for 30 mins by [35S]GTPgammaS binding ass...


Citation and Details
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152136
PNG
(CHEMBL3781282)
Show SMILES CC(C)(CO)CNc1ccnc(N)n1
Show InChI InChI=1S/C9H16N4O/c1-9(2,6-14)5-12-7-3-4-11-8(10)13-7/h3-4,14H,5-6H2,1-2H3,(H3,10,11,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 332n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Citation and Details
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50152146
PNG
(CHEMBL3780951)
Show SMILES Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCC2(CCOCC2)c2nc(cs2)-c2ccccc2)n1
Show InChI InChI=1S/C28H30N4O2S/c1-20-16-21(2)32(31-20)17-22-8-10-24(11-9-22)26(33)29-19-28(12-14-34-15-13-28)27-30-25(18-35-27)23-6-4-3-5-7-23/h3-11,16,18H,12-15,17,19H2,1-2H3,(H,29,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.49E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 7.11E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150633
PNG
(CHEMBL3769407)
Show SMILES O=C(Cc1ccccc1)NCCCCCCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c23-21(18-20-15-9-5-10-16-20)22-17-11-3-1-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16H,1-3,6,11-12,17-18H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150581
PNG
(CHEMBL3769907)
Show SMILES OB(O)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H18BNO3/c23-20(18-10-12-19(13-11-18)21(24)25)22-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150578
PNG
(CHEMBL3769906)
Show SMILES OB(O)c1ccc(cc1)C(=O)NCCCCCc1ccccc1
Show InChI InChI=1S/C18H22BNO3/c21-18(16-10-12-17(13-11-16)19(22)23)20-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-13,22-23H,2,5-6,9,14H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150579
PNG
(CHEMBL3770848)
Show SMILES OB(O)c1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15BClNO3/c18-15-8-3-12(4-9-15)5-10-16(20)19-11-13-1-6-14(7-2-13)17(21)22/h1-10,21-22H,11H2,(H,19,20)/b10-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 4.23E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM d...


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150633
PNG
(CHEMBL3769407)
Show SMILES O=C(Cc1ccccc1)NCCCCCCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c23-21(18-20-15-9-5-10-16-20)22-17-11-3-1-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16H,1-3,6,11-12,17-18H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 330n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150633
PNG
(CHEMBL3769407)
Show SMILES O=C(Cc1ccccc1)NCCCCCCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c23-21(18-20-15-9-5-10-16-20)22-17-11-3-1-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16H,1-3,6,11-12,17-18H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 660n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM d...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150579
PNG
(CHEMBL3770848)
Show SMILES OB(O)c1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15BClNO3/c18-15-8-3-12(4-9-15)5-10-16(20)19-11-13-1-6-14(7-2-13)17(21)22/h1-10,21-22H,11H2,(H,19,20)/b10-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150581
PNG
(CHEMBL3769907)
Show SMILES OB(O)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H18BNO3/c23-20(18-10-12-19(13-11-18)21(24)25)22-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione synthetase (TryS)


(Trypanosoma cruzi)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1
Show InChI InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 620n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 0.5 mM ...


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione synthetase (TryS)


(Trypanosoma cruzi)
BDBM50152094
PNG
(CHEMBL3780789)
Show SMILES C[C@H]1CC[C@H](N)CC1
Show InChI InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 93n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 50 uM p...


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50152105
PNG
(4-{[3,3-Dimethyl-2-(3-methyl-2-methylamino-3-pheny...)
Show SMILES CCOC(=O)C(\C)=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H47N3O4/c1-12-36-27(35)20(4)18-22(19(2)3)32(11)26(34)24(28(5,6)7)31-25(33)23(30-10)29(8,9)21-16-14-13-15-17-21/h13-19,22-24,30H,12H2,1-11H3,(H,31,33)/b20-18+/t22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.00E+3n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity towards tubulin


J Med Chem 47: 4774-86 (2004)

More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50152118
PNG
(4-[(2-{2-[(2-Hydroxy-ethyl)-methyl-amino]-3-methyl...)
Show SMILES CC(C)[C@@H](\C=C(/C)C(O)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C)CCO)C(C)(C)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H47N3O5/c1-19(2)22(18-20(3)27(36)37)32(10)26(35)23(28(4,5)6)30-25(34)24(31(9)16-17-33)29(7,8)21-14-12-11-13-15-21/h11-15,18-19,22-24,33H,16-17H2,1-10H3,(H,30,34)(H,36,37)/b20-18+/t22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity towards tubulin


J Med Chem 47: 4774-86 (2004)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150578
PNG
(CHEMBL3769906)
Show SMILES OB(O)c1ccc(cc1)C(=O)NCCCCCc1ccccc1
Show InChI InChI=1S/C18H22BNO3/c21-18(16-10-12-17(13-11-16)19(22)23)20-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-13,22-23H,2,5-6,9,14H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50150589
PNG
((E)-(S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-met...)
Show SMILES CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1
Show InChI InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 260n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity towards tubulin


J Med Chem 47: 4774-86 (2004)

More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50152123
PNG
(4-({2-[3-(4-Methoxy-phenyl)-3-methyl-2-methylamino...)
Show SMILES CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccc(OC)cc1
Show InChI InChI=1S/C28H45N3O5/c1-17(2)21(16-18(3)26(34)35)31(10)25(33)23(27(4,5)6)30-24(32)22(29-9)28(7,8)19-12-14-20(36-11)15-13-19/h12-17,21-23,29H,1-11H3,(H,30,32)(H,34,35)/b18-16+/t21-,22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity towards tubulin


J Med Chem 47: 4774-86 (2004)

More data for this
Ligand-Target Pair