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6 similar compounds to monomer 53833

Compile data set for download or QSAR
Wt: 485.5
BDBM53828
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Wt: 505.9
BDBM53832
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Wt: 548.4
BDBM50440063
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Wt: 558.9
BDBM50440064
Wt: 592.8
BDBM50440065
Wt: 592.8
BDBM50440069
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 53828,53832,50440063,50440064,50440065,50440069   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53828
PNG
(4-[(3E)-3-(6-methyl-2-oxidanylidene-4-phenyl-quino...)
Show SMILES Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3cccs3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C27H23N3O4S/c1-16-9-10-19-18(14-16)25(17-6-3-2-4-7-17)26(27(34)28-19)20-15-21(22-8-5-13-35-22)30(29-20)23(31)11-12-24(32)33/h2-10,13-14,21H,11-12,15H2,1H3,(H,28,34)(H,32,33)
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n/an/a 6.89E+4n/an/an/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53832
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H20ClN3O4S/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-13,20H,10-11,14H2,(H,28,34)(H,32,33)
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n/an/a>5.96E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM50440063
PNG
(CHEMBL2426077)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23Cl2N3O4/c30-19-12-8-17(9-13-19)24-16-23(33-34(24)25(35)6-3-7-26(36)37)28-27(18-10-14-20(31)15-11-18)21-4-1-2-5-22(21)32-29(28)38/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 690n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50440063
PNG
(CHEMBL2426077)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23Cl2N3O4/c30-19-12-8-17(9-13-19)24-16-23(33-34(24)25(35)6-3-7-26(36)37)28-27(18-10-14-20(31)15-11-18)21-4-1-2-5-22(21)32-29(28)38/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50440063
PNG
(CHEMBL2426077)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23Cl2N3O4/c30-19-12-8-17(9-13-19)24-16-23(33-34(24)25(35)6-3-7-26(36)37)28-27(18-10-14-20(31)15-11-18)21-4-1-2-5-22(21)32-29(28)38/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50440063
PNG
(CHEMBL2426077)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23Cl2N3O4/c30-19-12-8-17(9-13-19)24-16-23(33-34(24)25(35)6-3-7-26(36)37)28-27(18-10-14-20(31)15-11-18)21-4-1-2-5-22(21)32-29(28)38/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM50440064
PNG
(CHEMBL2426076)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23ClN4O6/c30-19-11-14-22-21(15-19)27(18-5-2-1-3-6-18)28(29(38)31-22)23-16-24(17-9-12-20(13-10-17)34(39)40)33(32-23)25(35)7-4-8-26(36)37/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,31,38)(H,36,37)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50440064
PNG
(CHEMBL2426076)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23ClN4O6/c30-19-11-14-22-21(15-19)27(18-5-2-1-3-6-18)28(29(38)31-22)23-16-24(17-9-12-20(13-10-17)34(39)40)33(32-23)25(35)7-4-8-26(36)37/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,31,38)(H,36,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50440064
PNG
(CHEMBL2426076)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23ClN4O6/c30-19-11-14-22-21(15-19)27(18-5-2-1-3-6-18)28(29(38)31-22)23-16-24(17-9-12-20(13-10-17)34(39)40)33(32-23)25(35)7-4-8-26(36)37/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,31,38)(H,36,37)
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n/an/a 9.20E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50440064
PNG
(CHEMBL2426076)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23ClN4O6/c30-19-11-14-22-21(15-19)27(18-5-2-1-3-6-18)28(29(38)31-22)23-16-24(17-9-12-20(13-10-17)34(39)40)33(32-23)25(35)7-4-8-26(36)37/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,31,38)(H,36,37)
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n/an/a 1.09E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM50440065
PNG
(CHEMBL2426075)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-12-8-18(9-13-19)27-21-4-1-2-5-22(21)32-29(38)28(27)23-16-24(17-10-14-20(31)15-11-17)34(33-23)25(35)6-3-7-26(36)37/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 320n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50440065
PNG
(CHEMBL2426075)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-12-8-18(9-13-19)27-21-4-1-2-5-22(21)32-29(38)28(27)23-16-24(17-10-14-20(31)15-11-17)34(33-23)25(35)6-3-7-26(36)37/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 600n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50440065
PNG
(CHEMBL2426075)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-12-8-18(9-13-19)27-21-4-1-2-5-22(21)32-29(38)28(27)23-16-24(17-10-14-20(31)15-11-17)34(33-23)25(35)6-3-7-26(36)37/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50440065
PNG
(CHEMBL2426075)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-12-8-18(9-13-19)27-21-4-1-2-5-22(21)32-29(38)28(27)23-16-24(17-10-14-20(31)15-11-17)34(33-23)25(35)6-3-7-26(36)37/h1-2,4-5,8-15,24H,3,6-7,16H2,(H,32,38)(H,36,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
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UniChem

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Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53832
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H20ClN3O4S/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-13,20H,10-11,14H2,(H,28,34)(H,32,33)
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n/an/a 5.76E+3n/an/an/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair