BindingDB logo
myBDB logout

14 similar compounds to monomer 50168107

Wt: 293.2
BDBM50168114
Wt: 588.4
BDBM50168081
Wt: 243.2
BDBM50168117
Wt: 291.3
BDBM50168122
Wt: 628.5
BDBM50168083
Wt: 536.7
BDBM50168066

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50168114,50168081,50168117,50168122,50168083,50168066   
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 A2a


(Homo sapiens (human))
BDBM50168122
PNG
(CHEMBL3797324)
Show SMILES Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
320n/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50168066
PNG
(CHEMBL3799596)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc12
Show InChI InChI=1S/C36H44N2O2/c1-37(2)22-9-23-38-35-16-6-4-12-32(35)19-20-33-18-17-29(28-36(33)38)10-8-24-39-26-27-40-25-21-31-14-7-13-30-11-3-5-15-34(30)31/h3-7,11-18,28H,8-10,19-27H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
360n/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
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))
BDBM50168066
PNG
(CHEMBL3799596)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc12
Show InChI InChI=1S/C36H44N2O2/c1-37(2)22-9-23-38-35-16-6-4-12-32(35)19-20-33-18-17-29(28-36(33)38)10-8-24-39-26-27-40-25-21-31-14-7-13-30-11-3-5-15-34(30)31/h3-7,11-18,28H,8-10,19-27H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+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))
BDBM50168066
PNG
(CHEMBL3799596)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc12
Show InChI InChI=1S/C36H44N2O2/c1-37(2)22-9-23-38-35-16-6-4-12-32(35)19-20-33-18-17-29(28-36(33)38)10-8-24-39-26-27-40-25-21-31-14-7-13-30-11-3-5-15-34(30)31/h3-7,11-18,28H,8-10,19-27H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
6.70E+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))
BDBM50168083
PNG
(CHEMBL3798731)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)N1CCCC(C1)C(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H31Cl2N3O4/c1-21(22-5-7-23(8-6-22)34(41)39-13-3-4-27(20-39)35(42)43)40-33(19-32(38-40)28-15-29(36)18-30(37)16-28)26-10-9-25-17-31(44-2)12-11-24(25)14-26/h5-12,14-19,21,27H,3-4,13,20H2,1-2H3,(H,42,43)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.12E+5n/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
Glucagon receptor


(Homo sapiens (Human))
BDBM50168081
PNG
(CHEMBL3799802)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/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
Glucagon receptor


(Homo sapiens (Human))
BDBM50168081
PNG
(CHEMBL3799802)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/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))
BDBM50168066
PNG
(CHEMBL3799596)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc12
Show InChI InChI=1S/C36H44N2O2/c1-37(2)22-9-23-38-35-16-6-4-12-32(35)19-20-33-18-17-29(28-36(33)38)10-8-24-39-26-27-40-25-21-31-14-7-13-30-11-3-5-15-34(30)31/h3-7,11-18,28H,8-10,19-27H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 280n/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))
BDBM50168083
PNG
(CHEMBL3798731)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)N1CCCC(C1)C(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H31Cl2N3O4/c1-21(22-5-7-23(8-6-22)34(41)39-13-3-4-27(20-39)35(42)43)40-33(19-32(38-40)28-15-29(36)18-30(37)16-28)26-10-9-25-17-31(44-2)12-11-24(25)14-26/h5-12,14-19,21,27H,3-4,13,20H2,1-2H3,(H,42,43)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.65E+4n/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