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700 molecules are shown

Wt: 355.4
BDBM45656Purchase		Wt: 557.7
BDBM45657Purchase		Wt: 279.7
BDBM45689Purchase		Wt: 281.6
BDBM45690Purchase		Wt: 361.8
BDBM50099308Purchase
Wt: 200.2
BDBM50180723Purchase		Wt: 300.3
BDBM50262664Purchase		Wt: 293.3
BDBM50288104Purchase		Wt: 324.4
BDBM50309586Purchase		Wt: 285.2
BDBM50314728Purchase
<<  First   |  Previous   |  Displayed 691 to 700 (of 700 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 45656,45657,45689,45690,50099308,50180723,50262664,50288104,50309586,50314728   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
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 90n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay

Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099308
PNG
(CHEMBL409360 | [(3S,4R)-4-(4-Chloro-phenyl)-1-phen...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20ClNO/c24-19-13-11-17(12-14-19)21-15-25(20-9-5-2-6-10-20)16-22(21)23(26)18-7-3-1-4-8-18/h1-14,21-22H,15-16H2/t21-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.

Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50288104
PNG
((1R,3R)-1-(4-Methoxy-phenyl)-5-phenyl-6-oxa-4-aza-...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@]11N=C(OC1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1
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n/an/a 3.33E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 574n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM45656
PNG
(MLS000682766 | N-(4-acetamidophenyl)-3-(2-sulfanyl...)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1
Show InChI InChI=1S/C18H17N3O3S/c1-12(22)19-13-6-8-14(9-7-13)20-17(23)10-11-21-15-4-2-3-5-16(15)24-18(21)25/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM45657
PNG
(MLS000682486 | N-[2-[benzyl(methyl)amino]ethyl]-6-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM45689
PNG
((4-Chloro-phenyl)-[2-(4,4,5,5-tetramethyl-[1,3]dio...)
Show SMILES [#6]C1([#6])[#8]\[#6](-[#8]C1([#6])[#6])=[#6]\[#6]=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClNO2/c1-14(2)15(3,4)19-13(18-14)9-10-17-12-7-5-11(16)6-8-12/h5-10H,1-4H3/b17-10+
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM45690
PNG
(4-Chloro-2-methyl-5-(4-nitro-phenoxy)-2H-pyridazin...)
Show SMILES Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O
Show InChI InChI=1S/C11H8ClN3O4/c1-14-11(16)10(12)9(6-13-14)19-8-4-2-7(3-5-8)15(17)18/h2-6H,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))		BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
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n/an/an/an/a 1.08E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))		BDBM50099308
PNG
(CHEMBL409360 | [(3S,4R)-4-(4-Chloro-phenyl)-1-phen...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20ClNO/c24-19-13-11-17(12-14-19)21-15-25(20-9-5-2-6-10-20)16-22(21)23(26)18-7-3-1-4-8-18/h1-14,21-22H,15-16H2/t21-,22+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))		BDBM45690
PNG
(4-Chloro-2-methyl-5-(4-nitro-phenoxy)-2H-pyridazin...)
Show SMILES Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O
Show InChI InChI=1S/C11H8ClN3O4/c1-14-11(16)10(12)9(6-13-14)19-8-4-2-7(3-5-8)15(17)18/h2-6H,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM45657
PNG
(MLS000682486 | N-[2-[benzyl(methyl)amino]ethyl]-6-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))		BDBM45657
PNG
(MLS000682486 | N-[2-[benzyl(methyl)amino]ethyl]-6-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NV9GP9
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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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


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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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


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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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


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))		BDBM45657
PNG
(MLS000682486 | N-[2-[benzyl(methyl)amino]ethyl]-6-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)
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n/an/an/an/a 9.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50288104
PNG
((1R,3R)-1-(4-Methoxy-phenyl)-5-phenyl-6-oxa-4-aza-...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@]11N=C(OC1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against herpes simplex type 2 protease (HSV-2 pr).

Bioorg Med Chem Lett 6: 2467-2472 (1996)


Article DOI: 10.1016/0960-894X(96)00456-8
BindingDB Entry DOI: 10.7270/Q29C6XFG
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))		BDBM50180723
PNG
(2-(thiophen-2-yl)-1H-benzo[d]imidazole | 2-thiophe...)
Show SMILES c1csc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli

J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay

Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay

Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))		BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from recombinant RBBP9 transfected in mouse brain membrane proteomes after 30 mins by SDS-PAGE gel fluoresc...

Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50099308
PNG
(CHEMBL409360 | [(3S,4R)-4-(4-Chloro-phenyl)-1-phen...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20ClNO/c24-19-13-11-17(12-14-19)21-15-25(20-9-5-2-6-10-20)16-22(21)23(26)18-7-3-1-4-8-18/h1-14,21-22H,15-16H2/t21-,22+/m0/s1
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PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50180723
PNG
(2-(thiophen-2-yl)-1H-benzo[d]imidazole | 2-thiophe...)
Show SMILES c1csc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair