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6 similar compounds to monomer 50211918

Compile data set for download or QSAR
Wt: 322.3
BDBM39615
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Wt: 328.7
BDBM79907
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Wt: 389.2
BDBM94920
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Wt: 349.1
BDBM50211896
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Wt: 417.8
BDBM50018974
Wt: 387.8
BDBM50018987

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 39615,79907,94920,50211896,50018974,50018987   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39615
PNG
(MLS000087050 | N-(4-ethylphenyl)-5-(4-methoxypheny...)
Show SMILES CCc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C19H18N2O3/c1-3-13-4-8-15(9-5-13)20-19(22)17-12-18(24-21-17)14-6-10-16(23-2)11-7-14/h4-12H,3H2,1-2H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
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UniChem

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PCBioAssay
n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39615
PNG
(MLS000087050 | N-(4-ethylphenyl)-5-(4-methoxypheny...)
Show SMILES CCc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C19H18N2O3/c1-3-13-4-8-15(9-5-13)20-19(22)17-12-18(24-21-17)14-6-10-16(23-2)11-7-14/h4-12H,3H2,1-2H3,(H,20,22)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79907
PNG
(5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid (2...)
Show SMILES Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C17H13ClN2O3/c1-10-6-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-4-2-3-5-12(11)18/h2-9,21H,1H3,(H,19,22)
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n/an/a 7.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79907
PNG
(5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid (2...)
Show SMILES Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C17H13ClN2O3/c1-10-6-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-4-2-3-5-12(11)18/h2-9,21H,1H3,(H,19,22)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211896
PNG
(CHEMBL226052 | N-(5-chloro-2-hydroxyphenyl)-5-(4-c...)
Show SMILES Oc1ccc(Cl)cc1NC(=O)c1cc(on1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2N2O3/c17-10-3-1-9(2-4-10)15-8-13(20-23-15)16(22)19-12-7-11(18)5-6-14(12)21/h1-8,21H,(H,19,22)
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
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Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94920
PNG
(MLS001197785 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C17H13BrN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens (Human))
BDBM50018974
PNG
(CHEMBL3287446)
Show SMILES Cl.COc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c(OC)c1
Show InChI InChI=1S/C19H19N5O4.ClH/c1-26-13-7-8-14(17(9-13)27-2)23-18(25)15-10-16(28-24-15)11-3-5-12(6-4-11)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 2802-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.118
BindingDB Entry DOI: 10.7270/Q2J38V4S
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens (Human))
BDBM50018987
PNG
(CHEMBL3287458)
Show SMILES Cl.COc1ccccc1NC(=O)c1cc(on1)-c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C18H17N5O3.ClH/c1-25-15-5-3-2-4-13(15)22-17(24)14-10-16(26-23-14)11-6-8-12(9-7-11)21-18(19)20;/h2-10H,1H3,(H,22,24)(H4,19,20,21);1H
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n/an/a 8.40E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 2802-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.118
BindingDB Entry DOI: 10.7270/Q2J38V4S
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94920
PNG
(MLS001197785 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C17H13BrN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair