BindingDB logo
myBDB logout

15 similar compounds to monomer 50140075

Wt: 517.0
BDBM50140070
Wt: 501.0
BDBM50140069
Wt: 445.5
BDBM50201805
Wt: 412.5
BDBM50201807
Wt: 498.4
BDBM50201809
Wt: 364.3
BDBM50201799
Wt: 481.5
BDBM50201798
Wt: 503.5
BDBM50201800
Wt: 481.5
BDBM50201801
Wt: 505.5
BDBM50201802
Wt: 351.4
BDBM50201803
Wt: 411.4
BDBM50201811
Wt: 364.3
BDBM50201797

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50140070,50140069,50201805,50201807,50201809,50201799,50201798,50201800,50201801,50201802,50201803,50201811,50201797   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50140069
PNG
(CHEMBL3753329)
Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H29ClN4O3S/c1-19-9-10-22(17-24(19)26)28-25(31)27-21-11-13-23(14-12-21)34(32,33)30(16-15-29(2)3)18-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
4.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50140070
PNG
(CHEMBL3754137)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C25H29ClN4O4S/c1-29(2)15-16-30(18-19-7-5-4-6-8-19)35(32,33)22-12-9-20(10-13-22)27-25(31)28-21-11-14-24(34-3)23(26)17-21/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50140070
PNG
(CHEMBL3754137)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C25H29ClN4O4S/c1-29(2)15-16-30(18-19-7-5-4-6-8-19)35(32,33)22-12-9-20(10-13-22)27-25(31)28-21-11-14-24(34-3)23(26)17-21/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50140069
PNG
(CHEMBL3753329)
Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H29ClN4O3S/c1-19-9-10-22(17-24(19)26)28-25(31)27-21-11-13-23(14-12-21)34(32,33)30(16-15-29(2)3)18-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
209n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201798
PNG
(CHEMBL3944187)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201800
PNG
(CHEMBL3901092)
Show SMILES O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201801
PNG
(CHEMBL3942806)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)c1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth


Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201798
PNG
(CHEMBL3944187)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201803
PNG
(CHEMBL3908947)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N\O)N(C(C)C)C2=O)c1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.80n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201801
PNG
(CHEMBL3942806)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)c1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201805
PNG
(CHEMBL3903987)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201805
PNG
(CHEMBL3903987)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201807
PNG
(CHEMBL3934071)
Show SMILES CC(C)N1\C(S\C(=C/c2ccc(OCCN(C)c3ccccn3)cc2)C1=O)=N\O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...


Citation and Details
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 364n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...


Citation and Details
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 837n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...


Citation and Details
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201797
PNG
(CHEMBL516585)
Show SMILES CC1(C)OC2=C(C1Nc1ccc(cc1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Citation and Details
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201797
PNG
(CHEMBL516585)
Show SMILES CC1(C)OC2=C(C1Nc1ccc(cc1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Citation and Details
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201799
PNG
(CHEMBL238792)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Citation and Details
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201799
PNG
(CHEMBL238792)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201802
PNG
(CHEMBL3981128)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)c1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Citation and Details
More data for this
Ligand-Target Pair