BindingDB logo
myBDB logout

5 similar compounds to monomer 50168101

Wt: 293.2
BDBM50168114
Wt: 243.2
BDBM50168117
Wt: 600.4
BDBM50168090
Wt: 504.6
BDBM50168073

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50168114,50168117,50168090,50168073   
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
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50168114
PNG
(CHEMBL3799249)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1ccco1
Show InChI InChI=1S/C15H11N5O2/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50168114
PNG
(CHEMBL3799249)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1ccco1
Show InChI InChI=1S/C15H11N5O2/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
372n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50168117
PNG
(CHEMBL3800476)
Show SMILES Cc1nc(N)c2nn(cc2n1)-c1ccccc1F
Show InChI InChI=1S/C12H10FN5/c1-7-15-9-6-18(17-11(9)12(14)16-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H2,14,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50168073
PNG
(CHEMBL3798819)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1cccc2ccccc12
Show InChI InChI=1S/C34H36N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,9,19-25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50168073
PNG
(CHEMBL3798819)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1cccc2ccccc12
Show InChI InChI=1S/C34H36N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,9,19-25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50168073
PNG
(CHEMBL3798819)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1cccc2ccccc12
Show InChI InChI=1S/C34H36N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,9,19-25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of human SERT I172M mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...


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


(Homo sapiens (Human))
BDBM50168090
PNG
(CHEMBL3799468)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C1CCc2cc(ccc12)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H27Cl2N3O4/c1-42-27-7-4-19-12-22(3-2-20(19)16-27)31-18-29(24-14-25(34)17-26(35)15-24)37-38(31)30-9-6-21-13-23(5-8-28(21)30)33(41)36-11-10-32(39)40/h2-5,7-8,12-18,30H,6,9-11H2,1H3,(H,36,41)(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human glucagon receptor expressed in HEK293T cells assessed as inhibition of glucagon-induced cAMP accumulation incu...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50168073
PNG
(CHEMBL3798819)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1cccc2ccccc12
Show InChI InChI=1S/C34H36N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,9,19-25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of human SERT W103A mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...


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


(Homo sapiens (Human))
BDBM50168090
PNG
(CHEMBL3799468)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C1CCc2cc(ccc12)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H27Cl2N3O4/c1-42-27-7-4-19-12-22(3-2-20(19)16-27)31-18-29(24-14-25(34)17-26(35)15-24)37-38(31)30-9-6-21-13-23(5-8-28(21)30)33(41)36-11-10-32(39)40/h2-5,7-8,12-18,30H,6,9-11H2,1H3,(H,36,41)(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from wild type human glucagon receptor expressed in CHO-K1 cells after 3 hrs by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair