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3 similar compounds to monomer 50232693

Compile data set for download or QSAR
Wt: 356.4
BDBM50232673
Wt: 142.5
BDBM50232679
Wt: 158.1
BDBM50232695

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50232673,50232679,50232695   
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


(Homo sapiens (Human))
BDBM50232673
PNG
(CHEMBL4061189)
Show SMILES CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)13-15-11-14-12-21(17-9-6-10-18(24-15)19(14)17)25(22,23)16-7-4-3-5-8-16/h3-12,18-19H,13H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232673
PNG
(CHEMBL4061189)
Show SMILES CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)13-15-11-14-12-21(17-9-6-10-18(24-15)19(14)17)25(22,23)16-7-4-3-5-8-16/h3-12,18-19H,13H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232673
PNG
(CHEMBL4061189)
Show SMILES CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)13-15-11-14-12-21(17-9-6-10-18(24-15)19(14)17)25(22,23)16-7-4-3-5-8-16/h3-12,18-19H,13H2,1-2H3
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3.69E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232673
PNG
(CHEMBL4061189)
Show SMILES CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)13-15-11-14-12-21(17-9-6-10-18(24-15)19(14)17)25(22,23)16-7-4-3-5-8-16/h3-12,18-19H,13H2,1-2H3
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6.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232673
PNG
(CHEMBL4061189)
Show SMILES CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)13-15-11-14-12-21(17-9-6-10-18(24-15)19(14)17)25(22,23)16-7-4-3-5-8-16/h3-12,18-19H,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 190n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 126n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Mus musculus)
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 227n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 1.45E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 5.91E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 214n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged LOXL3 (1 to 753 residues) assessed as reduction in H2O2 production using DAP as substrate pre...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232695
PNG
(CHEMBL4060123)
Show SMILES NCc1ccnc2ccccc12
Show InChI InChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 6.04E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Rattus norvegicus)
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 136n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair