Compile Data Set for Download or QSAR
Found 721 Enz. Inhib. hit(s) with Target = 'Protein RecA'
TargetProtein RecA(Escherichia coli)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50475223(CHEMBL1161750)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C20H21N5O10P2/c26-16-14(8-33-37(31,32)35-36(28,29)30)34-20(17(16)27)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10,14,16-17,20,26-27H,8H2,(H,31,32)(H,21,22,24)(H2,28,29,30)/t14-,16-,17-,20-/m1/s1
Affinity DataKi:  4.60E+4nMAssay Description:In vitro apparent inhibition constant against Escherichia coli RecA proteinMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM63694(2-chloranyl-N-[3-(4-fluorophenyl)-1-phenyl-pyrazol...)
Show SMILES Fc1ccc(cc1)-c1nn(cc1NC(=O)CCl)-c1ccccc1
Show InChI InChI=1S/C17H13ClFN3O/c18-10-16(23)20-15-11-22(14-4-2-1-3-5-14)21-17(15)12-6-8-13(19)9-7-12/h1-9,11H,10H2,(H,20,23)
Affinity DataIC50: 200nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM63230(2-methyl-4,9-bis(oxidanylidene)-N-(pyridin-3-ylmet...)
Show SMILES Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-5-4-8-21-9-12)16-17(23)13-6-2-3-7-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25)
Affinity DataIC50: 200nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70712(Isonicotinic acid [1-(2-oxo-2H-chromen-3-yl)-eth-(...)
Show SMILES CC(=NNC(=O)c1ccncc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H13N3O3/c1-11(19-20-16(21)12-6-8-18-9-7-12)14-10-13-4-2-3-5-15(13)23-17(14)22/h2-10H,1H3,(H,20,21)
Affinity DataIC50: 290nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48249(MLS000541615 | N-[1,4-bis(oxidanylidene)-3-(2-phen...)
Show SMILES CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1
Show InChI InChI=1S/C27H23FN2O3/c1-18(31)30(17-20-11-13-21(28)14-12-20)25-24(29-16-15-19-7-3-2-4-8-19)26(32)22-9-5-6-10-23(22)27(25)33/h2-14,16,32-33H,15,17H2,1H3
Affinity DataIC50: 740nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71299(2-chloranyl-N-[3-(phenylcarbonyl)thiophen-2-yl]eth...)
Show SMILES ClCC(=O)Nc1sccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H10ClNO2S/c14-8-11(16)15-13-10(6-7-18-13)12(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
Affinity DataIC50: 860nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70523(1-(2-methylphenyl)-4,6-dinitro-indazole | 1-(2-met...)
Show SMILES Cc1ccccc1-n1ncc2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O4/c1-9-4-2-3-5-12(9)16-13-6-10(17(19)20)7-14(18(21)22)11(13)8-15-16/h2-8H,1H3
Affinity DataIC50: 1.01E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70741(2-Chloro-N-[5-ethyl-3-(4-methyl-benzoyl)-thiophen-...)
Show SMILES CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1
Show InChI InChI=1S/C16H16ClNO2S/c1-3-12-8-13(16(21-12)18-14(19)9-17)15(20)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,18,19)
Affinity DataIC50: 1.25E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32102(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
Affinity DataIC50: 1.35E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61119(2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazi...)
Show SMILES Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)CCl
Show InChI InChI=1S/C17H19ClN2O/c1-11-5-6-14-13(9-11)12-3-2-4-15-17(12)20(14)8-7-19(15)16(21)10-18/h5-6,9,15H,2-4,7-8,10H2,1H3
Affinity DataIC50: 1.39E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM56561(2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-...)
Show SMILES Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3
Affinity DataIC50: 1.53E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM64146(MLS001172197 | N-(1,3-benzodioxol-5-yl)-2-chlorany...)
Show SMILES ClCC(=O)N(Cc1ccccc1OCC=C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H18ClNO4/c1-2-9-23-16-6-4-3-5-14(16)12-21(19(22)11-20)15-7-8-17-18(10-15)25-13-24-17/h2-8,10H,1,9,11-13H2
Affinity DataIC50: 1.64E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71109(2-chloranyl-N-[4-[phenyl(propan-2-yl)amino]phenyl]...)
Show SMILES CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C17H19ClN2O/c1-13(2)20(15-6-4-3-5-7-15)16-10-8-14(9-11-16)19-17(21)12-18/h3-11,13H,12H2,1-2H3,(H,19,21)
Affinity DataIC50: 1.64E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70847(2-chloranyl-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin...)
Show SMILES ClCC(=O)N1C(COc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H14ClNO2/c17-10-16(19)18-13-8-4-5-9-15(13)20-11-14(18)12-6-2-1-3-7-12/h1-9,14H,10-11H2
Affinity DataIC50: 1.69E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34671(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
Affinity DataIC50: 1.90E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM63026(2-Chloro-N-(4-chloro-phenyl)-N-(1H-indol-3-yl)-ace...)
Show SMILES ClCC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c17-9-16(21)20(12-7-5-11(18)6-8-12)15-10-19-14-4-2-1-3-13(14)15/h1-8,10,19H,9H2
Affinity DataIC50: 1.91E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54370(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-methylph...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C19H17ClN2O2/c1-13-7-9-15(10-8-13)22(19(24)11-20)18-12-21(14(2)23)17-6-4-3-5-16(17)18/h3-10,12H,11H2,1-2H3
Affinity DataIC50: 1.95E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71168(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-phenyl-etha...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
Affinity DataIC50: 2.14E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41584((4-decyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...)
Show SMILES CCCCCCCCCCn1c2CCCc2c(=N)c2CCCc12
Show InChI InChI=1S/C21H34N2/c1-2-3-4-5-6-7-8-9-16-23-19-14-10-12-17(19)21(22)18-13-11-15-20(18)23/h22H,2-16H2,1H3
Affinity DataIC50: 2.16E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Escherichia coli)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM92386(Cisplatin, 1 | trans-DDP, 8)
Show SMILES [NH3+][Pt]([NH3+])(Cl)Cl
Show InChI InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibition of the Mtu RecA Intein by Cisplatin-Splicing activity of the RecA intein was dertermined in the presence and absence of potential...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47873(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c1-12(23)20-11-17(15-4-2-3-5-16(15)20)21(18(24)10-19)13-6-8-14(9-7-13)22(25)26/h2-9,11H,10H2,1H3
Affinity DataIC50: 3.24E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47900(1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...)
Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3
Affinity DataIC50: 5.91E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31061(4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[...)
Show SMILES Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Show InChI InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
Affinity DataIC50: 5.98E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71100(5-tert-butyl-N'-(2-chloranylethanoyl)-4,5,6,7-tetr...)
Show SMILES CC(C)(C)C1CCc2sc(cc2C1)C(=O)NNC(=O)CCl
Show InChI InChI=1S/C15H21ClN2O2S/c1-15(2,3)10-4-5-11-9(6-10)7-12(21-11)14(20)18-17-13(19)8-16/h7,10H,4-6,8H2,1-3H3,(H,17,19)(H,18,20)
Affinity DataIC50: 6.29E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
Affinity DataIC50: 6.35E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43224(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
Affinity DataIC50: 6.39E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70765(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-...)
Show SMILES COc1ccc(cc1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Show InChI InChI=1S/C23H23ClN2O3S/c1-29-19-11-9-18(10-12-19)26(21(27)16-24)22(20-8-5-15-30-20)23(28)25-14-13-17-6-3-2-4-7-17/h2-12,15,22H,13-14,16H2,1H3,(H,25,28)
Affinity DataIC50: 7.80E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41845(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
Affinity DataIC50: 9.33E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54255(4-chloranyl-N-[3-[methyl(phenyl)amino]-1,4-bis(oxi...)
Show SMILES CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O3/c1-27(17-7-3-2-4-8-17)21-20(26-24(30)15-11-13-16(25)14-12-15)22(28)18-9-5-6-10-19(18)23(21)29/h2-14H,1H3,(H,26,30)
Affinity DataIC50: 9.43E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM57130(2-(trifluoromethyl)-3-veratroyl-benzo[f]benzofuran...)
Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
Show InChI InChI=1S/C22H13F3O6/c1-29-13-8-7-10(9-14(13)30-2)17(26)16-15-18(27)11-5-3-4-6-12(11)19(28)20(15)31-21(16)22(23,24)25/h3-9H,1-2H3
Affinity DataIC50: 9.48E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71231(1H-benzimidazol-2-yl-[(1,2-dimethylindol-3-yl)meth...)
Show SMILES Cc1c(CN=Nc2nc3ccccc3[nH]2)c2ccccc2n1C
Show InChI InChI=1S/C18H17N5/c1-12-14(13-7-3-6-10-17(13)23(12)2)11-19-22-18-20-15-8-4-5-9-16(15)21-18/h3-10H,11H2,1-2H3,(H,20,21)/b22-19+
Affinity DataIC50: 9.50E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Escherichia coli)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM92387(Pt(Phen)Cl2, 2)
Show SMILES Cl[Pt]1(Cl)[n+]2cccc3ccc4ccc[n+]1c4c23
Show InChI InChI=1S/C12H8N2.2ClH.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+4/p-2
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibition of the Mtu RecA Intein by Cisplatin-Splicing activity of the RecA intein was dertermined in the presence and absence of potential...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51771(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
Affinity DataIC50: 1.01E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataIC50: 1.15E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM68109((3Z)-7-bromanyl-5-methyl-3-(2-oxidanylidene-2-thio...)
Show SMILES Cc1cc2\C(=C\C(=O)c3cccs3)C(=O)Nc2c(Br)c1
Show InChI InChI=1S/C15H10BrNO2S/c1-8-5-9-10(7-12(18)13-3-2-4-20-13)15(19)17-14(9)11(16)6-8/h2-7H,1H3,(H,17,19)/b10-7-
Affinity DataIC50: 1.17E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66480(4,5-bis(chloranyl)-2-[(3,5-dimethylphenyl)methyl]p...)
Show SMILES Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
Show InChI InChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
Affinity DataIC50: 1.17E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70702(Chloro-acetic acid N'-(2-hydroxy-2,2-diphenyl-...)
Show SMILES Cc1ccc(cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)CCl
Show InChI InChI=1S/C23H21ClN2O3/c1-17-12-14-20(15-13-17)26(21(27)16-24)25-22(28)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,29H,16H2,1H3,(H,25,28)
Affinity DataIC50: 1.20E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70489(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
Affinity DataIC50: 1.37E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70854(2-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-6-15(9-12(11)2)20-14-7-4-13(5-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
Affinity DataIC50: 1.44E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70761(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N3O2/c22-13-19(27)26(18-10-4-7-16(23)12-18)20(15-6-5-11-24-14-15)21(28)25-17-8-2-1-3-9-17/h4-7,10-12,14,17,20H,1-3,8-9,13H2,(H,25,28)
Affinity DataIC50: 1.55E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71453(MLS001179760 | N-(2-pyridinylmethylideneamino)-1-p...)
Show SMILES C(N=Nc1nncc2ccccc12)c1ccccn1
Show InChI InChI=1S/C14H11N5/c1-2-7-13-11(5-1)9-16-18-14(13)19-17-10-12-6-3-4-8-15-12/h1-9H,10H2
Affinity DataIC50: 1.59E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70825(2-chloranyl-N-[4-(2,4-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)c(C)c1
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-8-15(12(2)9-11)20-14-6-4-13(5-7-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
Affinity DataIC50: 1.77E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71037(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
Affinity DataIC50: 1.80E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71248((E)-4-[[5-(4-tert-butylphenyl)-2-carbomethoxy-3-th...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21NO5S/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(18(27-15)19(25)26-4)21-16(22)9-10-17(23)24/h5-11H,1-4H3,(H,21,22)(H,23,24)/b10-9+
Affinity DataIC50: 1.91E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47419(2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-...)
Show SMILES COc1cccc(c1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Show InChI InChI=1S/C23H23ClN2O3S/c1-29-19-10-5-9-18(15-19)26(21(27)16-24)22(20-11-6-14-30-20)23(28)25-13-12-17-7-3-2-4-8-17/h2-11,14-15,22H,12-13,16H2,1H3,(H,25,28)
Affinity DataIC50: 1.91E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70817(4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-ph...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
Affinity DataIC50: 1.96E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70763(2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-...)
Show SMILES Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H28ClN3O2/c1-16-10-11-20(13-17(16)2)27(21(28)14-24)22(18-7-6-12-25-15-18)23(29)26-19-8-4-3-5-9-19/h6-7,10-13,15,19,22H,3-5,8-9,14H2,1-2H3,(H,26,29)
Affinity DataIC50: 2.05E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70736(2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-...)
Show SMILES Cc1nn(c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-16-20(23(25)28(26-16)18-10-3-2-4-11-18)15-27(22(29)14-24)21-13-7-9-17-8-5-6-12-19(17)21/h2-13H,14-15H2,1H3
Affinity DataIC50: 2.18E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41607((4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorob...)
Show SMILES Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl3N2O3/c13-8-4-2-1-3-7(8)12(19)20-6-17-11(18)10(15)9(14)5-16-17/h1-5H,6H2
Affinity DataIC50: 2.21E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47422(2-chloranyl-N-[4-(2,5-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(C)c(Sc2ccc(NC(=O)CCl)cc2)c1
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)20-14-7-5-13(6-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
Affinity DataIC50: 2.25E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
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