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PubChem AID 492957

Compile Data Set for Download or QSAR

Found 225 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77606
PNG
((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|
Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/m1/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM58879
PNG
(1-(4-methylbenzyl)-2,4,6-tris(p-tolyl)pyridin-1-iu...)
Show SMILES Cc1ccc(C[n+]2c(cc(cc2-c2ccc(C)cc2)-c2ccc(C)cc2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C34H32N/c1-24-5-13-28(14-6-24)23-35-33(30-17-9-26(3)10-18-30)21-32(29-15-7-25(2)8-16-29)22-34(35)31-19-11-27(4)12-20-31/h5-22H,23H2,1-4H3/q+1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77552
PNG
(5-[2-(2-pyridinylmethylidene)hydrazinyl]-2H-1,2,4-...)
Show SMILES O=c1nncc(N=NCc2ccccn2)[nH]1 |w:6.5|
Show InChI InChI=1S/C9H8N6O/c16-9-13-8(6-12-15-9)14-11-5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H,13,15,16)/b14-11+
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM40695
PNG
(10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroi...)
Show SMILES Cc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccc3cccnc3c-21)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H21BrN3/c1-18-4-13-23(14-5-18)31-24(19-8-11-22(28)12-9-19)17-30-25(31)15-10-21-7-6-20-3-2-16-29-26(20)27(21)30/h2-9,11-14,16-17H,10,15H2,1H3/q+1
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77571
PNG
((3-chloro-4-fluoro-phenyl)-[5-(trifluoromethyl)-1,...)
Show SMILES Fc1ccc(Nc2nnc(s2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C9H4ClF4N3S/c10-5-3-4(1-2-6(5)11)15-8-17-16-7(18-8)9(12,13)14/h1-3H,(H,15,17)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM50035245
PNG
(CHEMBL67311 | N*4*-Hydroxy-N*1*-[1-(2-hydroxymethy...)
Show SMILES CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM57102
PNG
(MLS000541562 | N-cyclohexyl-6-phenyl-3-(2-pyridiny...)
Show SMILES C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77549
PNG
(5-nitro-N-(2-pyrimidinyl)-2-furancarboxamide | 5-n...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ncccn1
Show InChI InChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77521
PNG
((3-nitro-4-pentoxy-phenyl)methyl carbamimidothioat...)
Show SMILES CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H19N3O3S/c1-2-3-4-7-19-12-6-5-10(9-20-13(14)15)8-11(12)16(17)18/h5-6,8H,2-4,7,9H2,1H3,(H3,14,15)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM57572
PNG
(5-Methyl-3-phenyl-isoxazole-4-carboxylic acid [N&#...)
Show SMILES Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C19H16N4O5S/c1-10-15(16(23-28-10)11-5-3-2-4-6-11)18(27)20-19(29)22-21-17(26)13-8-7-12(24)9-14(13)25/h2-9,24-25H,1H3,(H,21,26)(H2,20,22,27,29)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77607
PNG
(2-(1,3-benzodioxol-5-yl)-N-[(5-nitro-2-furanyl)met...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc3OCOc3c2)o1
Show InChI InChI=1S/C14H11N3O6/c18-13(6-9-1-3-11-12(5-9)22-8-21-11)16-15-7-10-2-4-14(23-10)17(19)20/h1-5,7H,6,8H2,(H,16,18)/b15-7+
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77569
PNG
(8-Ethyl-5-oxo-2-[4-(2-trifluoromethyl-phenylthioca...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-14(19(33)34)17(32)13-11-26-20(28-18(13)29)30-7-9-31(10-8-30)21(35)27-16-6-4-3-5-15(16)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77550
PNG
((2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-2-quinolin...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC=C)C=Cc2cc(C)ccc12 |c:20|
Show InChI InChI=1S/C25H25N2/c1-4-16-27-23(13-11-20-8-6-7-9-24(20)27)18-22-14-12-21-17-19(3)10-15-25(21)26(22)5-2/h4,6-15,17-18H,1,5,16H2,2-3H3/q+1
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM57939
PNG
(MLS000703514 | N-[(5-nitro-2-furanyl)methylideneam...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C13H10N4O6/c18-12(7-9-1-3-10(4-2-9)16(19)20)15-14-8-11-5-6-13(23-11)17(21)22/h1-6,8H,7H2,(H,15,18)/b14-8+
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM60214
PNG
(4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
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n/an/a 4.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77518
PNG
(5-(4-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | 5...)
Show SMILES CC(C)Oc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-10(4-6-12)7-11-8-17-14(16)18-13(11)15/h3-6,8-9H,7H2,1-2H3,(H4,15,16,17,18)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM59533
PNG
(4-amino-N'-[(1E)-(5-nitro-2-furyl)methylene]-1...)
Show SMILES Nc1nonc1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C8H6N6O5/c9-7-6(12-19-13-7)8(15)11-10-3-4-1-2-5(18-4)14(16)17/h1-3H,(H2,9,13)(H,11,15)/b10-3+
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77565
PNG
(MLS000767606 | N-(1-pyridin-2-ylethylideneamino)-[...)
Show SMILES CC(N=Nc1ccc2nncn2n1)c1ccccn1 |w:3.3|
Show InChI InChI=1S/C12H11N7/c1-9(10-4-2-3-7-13-10)15-16-11-5-6-12-17-14-8-19(12)18-11/h2-9H,1H3
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM49874
PNG
(6-Nitro-quinolin-8-ol | 6-nitro-8-quinolinol | 6-n...)
Show SMILES Oc1cc(cc2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C9H6N2O3/c12-8-5-7(11(13)14)4-6-2-1-3-10-9(6)8/h1-5,12H
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n/an/a 6.23E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM46756
PNG
(MLS000103340 | N-(5-thiophen-2-yl-1,3,4-oxadiazol-...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-1-3-8(7-9)11(21)18-13-20-19-12(22-13)10-5-2-6-23-10/h1-7H,(H,18,20,21)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM75744
PNG
((2E)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-13-10-16(3)14-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77574
PNG
(2-(4-oxo-2-{2-[1-(2-pyridyl)ethylidene]hydrazono}-...)
Show SMILES CC(N=Nc1nc(O)c(CC(O)=O)s1)c1ccccn1 |w:3.3|
Show InChI InChI=1S/C12H12N4O3S/c1-7(8-4-2-3-5-13-8)15-16-12-14-11(19)9(20-12)6-10(17)18/h2-5,7,19H,6H2,1H3,(H,17,18)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77570
PNG
(3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-prop-2-en...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
Show InChI InChI=1S/C8H7N5O3S2/c1-2-3-12-6(14)10-11-7(12)18-8-9-4-5(17-8)13(15)16/h2,4H,1,3H2,(H,10,14)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77588
PNG
(MLS001221226 | N-[(salicyloylamino)thiocarbamoyl]t...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
Show InChI InChI=1S/C13H11N3O3S2/c17-9-5-2-1-4-8(9)11(18)15-16-13(20)14-12(19)10-6-3-7-21-10/h1-7,17H,(H,15,18)(H2,14,16,19,20)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM75309
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM49812
PNG
(5-nitro-N-(3-pyridinylmethyl)-2-furancarboxamide |...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C11H9N3O4/c15-11(9-3-4-10(18-9)14(16)17)13-7-8-2-1-5-12-6-8/h1-6H,7H2,(H,13,15)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77591
PNG
(1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto...)
Show SMILES CCC(C)NC(=O)c1cn(CC)c2cc(N3CCN(CC3)C(=O)c3ccco3)c(F)cc2c1=O
Show InChI InChI=1S/C25H29FN4O4/c1-4-16(3)27-24(32)18-15-28(5-2)20-14-21(19(26)13-17(20)23(18)31)29-8-10-30(11-9-29)25(33)22-7-6-12-34-22/h6-7,12-16H,4-5,8-11H2,1-3H3,(H,27,32)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM61066
PNG
(14-benzoylacenaphtho[1',2':4,5]pyrido[2,1-...)
Show SMILES [Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
Show InChI InChI=1S/C28H16NOS.BrH/c30-28(18-8-2-1-3-9-18)27-26-20-13-7-11-17-10-6-12-19(25(17)20)21(26)16-24-29(27)22-14-4-5-15-23(22)31-24;/h1-16H;1H/q+1;/p-1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM64703
PNG
(7-[(2-chlorophenyl)-(1-pyrrolidinyl)methyl]-8-quin...)
Show SMILES Oc1c(ccc2cccnc12)C(N1CCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77548
PNG
(4-morpholinyl-(5-nitro-2-furanyl)methanone | MLS00...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C9H10N2O5/c12-9(10-3-5-15-6-4-10)7-1-2-8(16-7)11(13)14/h1-2H,3-6H2
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM65289
PNG
((E)-N-[(salicyloylamino)thiocarbamoyl]-3-(2-thieny...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
Show InChI InChI=1S/C15H13N3O3S2/c19-12-6-2-1-5-11(12)14(21)17-18-15(22)16-13(20)8-7-10-4-3-9-23-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)/b8-7+
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77567
PNG
(5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...)
Show SMILES CCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C15H20N4O/c1-2-3-8-20-13-6-4-11(5-7-13)9-12-10-18-15(17)19-14(12)16/h4-7,10H,2-3,8-9H2,1H3,(H4,16,17,18,19)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77608
PNG
(2-(2-amino-6-methylsulfanylpurin-9-yl)-N-(3,4-dime...)
Show SMILES CSc1nc(N)nc2n(CC(=O)Nc3ccc(C)c(C)c3)cnc12
Show InChI InChI=1S/C16H18N6OS/c1-9-4-5-11(6-10(9)2)19-12(23)7-22-8-18-13-14(22)20-16(17)21-15(13)24-3/h4-6,8H,7H2,1-3H3,(H,19,23)(H2,17,20,21)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77542
PNG
(MLS000664947 | N-(2-ethyl-1,2,3,4-tetrazol-5-yl)-5...)
Show SMILES CCn1nnc(NC(=O)c2ccc(o2)[N+]([O-])=O)n1
Show InChI InChI=1S/C8H8N6O4/c1-2-13-11-8(10-12-13)9-7(15)5-3-4-6(18-5)14(16)17/h3-4H,2H2,1H3,(H,9,11,15)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM50132298
PNG
(1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77595
PNG
(5-nitro-N-(1-propyl-2-benzimidazolyl)-2-furancarbo...)
Show SMILES CCCn1c(NC(=O)c2ccc(o2)[N+]([O-])=O)nc2ccccc12
Show InChI InChI=1S/C15H14N4O4/c1-2-9-18-11-6-4-3-5-10(11)16-15(18)17-14(20)12-7-8-13(23-12)19(21)22/h3-8H,2,9H2,1H3,(H,16,17,20)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77577
PNG
(MLS001163495 | N-[(8-hydroxy-7-quinolinyl)(2-napht...)
Show SMILES CC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C22H18N2O2/c1-14(25)24-20(18-9-8-15-5-2-3-6-17(15)13-18)19-11-10-16-7-4-12-23-21(16)22(19)26/h2-13,20,26H,1H3,(H,24,25)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM48080
PNG
((1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenon...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12|
Show InChI InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77560
PNG
((4-methyl-2-quinolyl)-[(5-nitro-2-furyl)methylenea...)
Show SMILES Cc1cc(N=NCc2ccc(o2)[N+]([O-])=O)nc2ccccc12 |w:4.3|
Show InChI InChI=1S/C15H12N4O3/c1-10-8-14(17-13-5-3-2-4-12(10)13)18-16-9-11-6-7-15(22-11)19(20)21/h2-8H,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM66649
PNG
(2-(3-thienyl)-3-hydroxy-4(1H)-quinolinone-7-carbox...)
Show SMILES CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C17H16N2O3S/c1-2-6-18-17(22)10-3-4-12-13(8-10)19-14(16(21)15(12)20)11-5-7-23-9-11/h3-5,7-9,21H,2,6H2,1H3,(H,18,22)(H,19,20)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM73790
PNG
((4-Oxo-2-{[1-pyridin-2-yl-meth-(E)-ylidene]-hydraz...)
Show SMILES OC(=O)Cc1sc(N=NCc2ccccn2)nc1O |w:7.6|
Show InChI InChI=1S/C11H10N4O3S/c16-9(17)5-8-10(18)14-11(19-8)15-13-6-7-3-1-2-4-12-7/h1-4,18H,5-6H2,(H,16,17)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM77586
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-morpholin-4-...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H20N4O2S/c24-18(13-26-19-21-16-3-1-2-4-17(16)22-19)20-14-5-7-15(8-6-14)23-9-11-25-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM65618
PNG
((6E)-2-methoxy-6-[[(5-nitro-2-pyridinyl)hydrazo]me...)
Show SMILES COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O |w:8.7|
Show InChI InChI=1S/C13H11N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8H,7H2,1H3/q-1/p+1
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM75739
PNG
((1Z)-1-[(4-hydroxyphenyl)hydrazinylidene]-2-naphth...)
Show SMILES Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
Show InChI InChI=1S/C16H12N2O2/c19-13-8-6-12(7-9-13)17-18-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,19-20H
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM60273
PNG
(MLS000861866 | N-phenyl-2-[(2-pyridin-2-yl-2,3-dih...)
Show SMILES O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|
Show InChI InChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)		BDBM64726
PNG
(MLS001204081 | N-[(8-hydroxy-7-quinolinyl)-phenylm...)
Show SMILES CCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%