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5 similar compounds to monomer 50229845

Compile data set for download or QSAR
Wt: 261.6
BDBM50229860
Wt: 457.2
BDBM50115288
Wt: 477.9
BDBM50168258
Wt: 265.3
BDBM50171047
Wt: 364.4
BDBM50229844

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50229860,50115288,50168258,50171047,50229844   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50168258
PNG
(CHEMBL3805369)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)NN1[C@H]2CC[C@@H]1CC(C2)C(=O)OCc1ccccc1
Show InChI InChI=1/C22H24ClN3O5S/c23-17-6-10-20(11-7-17)32(29,30)25-22(28)24-26-18-8-9-19(26)13-16(12-18)21(27)31-14-15-4-2-1-3-5-15/h1-7,10-11,16,18-19H,8-9,12-14H2,(H2,24,25,28)/t16?,18-,19+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
890n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis


Eur J Med Chem 114: 170-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.054
BindingDB Entry DOI: 10.7270/Q26Q2048
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50115288
PNG
(CHEMBL3609014)
Show SMILES OB(O)c1ccc(CN(Cc2ccccn2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-19-6-9-20(10-7-19)30-24(32)17-4-11-23(29-13-17)31(15-21-3-1-2-12-27-21)16-22-8-5-18(14-28-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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Article
PubMed
n/an/a 4.85E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.090
BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171047
PNG
(CHEMBL3805100)
Show SMILES CC(C)c1ccc2nc(C)c(cc2c1)C1=CCCCC1
Show InChI InChI=1S/C19H23N/c1-13(2)16-9-10-19-17(11-16)12-18(14(3)20-19)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3
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Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50229860
PNG
(CHEMBL101143)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells


J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229844
PNG
(CHEMBL328566)
Show SMILES COC(=O)CCCCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-21-10(18)8-6-4-2-3-5-7-9(17)14-11-15-16-12(22-11)23(13,19)20/h2-8H2,1H3,(H2,13,19,20)(H,14,15,17)
PDB

KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM50229860
PNG
(CHEMBL101143)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells


J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50115288
PNG
(CHEMBL3609014)
Show SMILES OB(O)c1ccc(CN(Cc2ccccn2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-19-6-9-20(10-7-19)30-24(32)17-4-11-23(29-13-17)31(15-21-3-1-2-12-27-21)16-22-8-5-18(14-28-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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PC cid
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UniChem

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.090
BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair