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Compile Data Set for Download or QSAR

Found 15 hits from CSIR Biosciences   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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PubMed
n/an/a 670n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2184
PNG
(SM30 | US8501787, 166)
Show SMILES Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-18-23-19(16-11-5-6-12-17(16)21)20(24(14)18)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2173
PNG
(CW23836 | US8501787, 116)
Show SMILES Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1
Show InChI InChI=1S/C20H19ClN4/c21-17-11-5-4-10-16(17)19-20(23-14-7-2-1-3-8-14)25-15(13-22)9-6-12-18(25)24-19/h4-6,9-12,14,23H,1-3,7-8H2
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n/an/a 3.47E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2172
PNG
(DG 402-49748 | US8501787, 104)
Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1
Show InChI InChI=1S/C19H19Cl2N3/c20-15-10-5-4-9-14(15)18-19(22-13-7-2-1-3-8-13)24-16(21)11-6-12-17(24)23-18/h4-6,9-13,22H,1-3,7-8H2
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n/an/a 3.74E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2115
PNG
(MLB133-641A | US8501787, 8)
Show SMILES Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20ClN3/c20-16-11-5-4-10-15(16)18-19(21-14-8-2-1-3-9-14)23-13-7-6-12-17(23)22-18/h4-7,10-14,21H,1-3,8-9H2
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n/an/a 4.40E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2116
PNG
(DG 402-49706 | US8501787, 42)
Show SMILES Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1
Show InChI InChI=1S/C19H19BrClN3/c20-16-11-6-12-17-23-18(14-9-4-5-10-15(14)21)19(24(16)17)22-13-7-2-1-3-8-13/h4-6,9-13,22H,1-3,7-8H2
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n/an/a 4.62E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2177
PNG
(SM27 | US8501787, 163)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3/c1-14-11-12-18-23-19(16-9-5-6-10-17(16)21)20(24(18)13-14)22-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3
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n/an/a 5.39E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM99893
PNG
(US8501767, 96)
Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2182
PNG
(SM29 | US8501787, 165)
Show SMILES Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-24-19(14)23-18(16-11-5-6-12-17(16)21)20(24)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3
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n/an/a 7.18E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2162
PNG
(DG 402-49754 | US8501787, 97)
Show SMILES Clc1ccccc1-c1nc2ccc3ccccc3n2c1NC1CCCCC1
Show InChI InChI=1S/C23H22ClN3/c24-19-12-6-5-11-18(19)22-23(25-17-9-2-1-3-10-17)27-20-13-7-4-8-16(20)14-15-21(27)26-22/h4-8,11-15,17,25H,1-3,9-10H2
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n/an/a 7.52E+3n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM99895
PNG
(US8501767, 81)
Show SMILES Fc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl
Show InChI InChI=1S/C19H19ClFN3/c20-16-9-5-4-8-15(16)18-19(22-14-6-2-1-3-7-14)24-12-13(21)10-11-17(24)23-18/h4-5,8-12,14,22H,1-3,6-7H2
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n/an/a 1.13E+4n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM99896
PNG
(US8501767, 99)
Show SMILES Clc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1
Show InChI InChI=1S/C19H19BrClN3/c20-13-10-11-17-23-18(15-8-4-5-9-16(15)21)19(24(17)12-13)22-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2
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n/an/a 1.22E+4n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM99894
PNG
(US8501767, 82)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-13-10-11-17-23-18(15-8-4-5-9-16(15)21)19(24(17)12-13)22-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2
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PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484067
PNG
(CHEMBL1807349)
Show SMILES Cc1c(Br)ccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl
Show InChI InChI=1S/C20H21BrClN3/c1-13-16(21)11-12-18-24-19(15-9-5-6-10-17(15)22)20(25(13)18)23-14-7-3-2-4-8-14/h5-6,9-12,14,23H,2-4,7-8H2,1H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA


Bioorg Med Chem 19: 4227-37 (2011)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Sus scrofa)
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
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Article
PubMed
n/an/a 2.50E+6n/an/an/an/an/an/a



CSIR Biosciences

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in pig leukocytes using arachidonic acid as substrate


Bioorg Med Chem 25: 1172-1182 (2017)


Article DOI: 10.1016/j.bmc.2016.12.025
BindingDB Entry DOI: 10.7270/Q2GF0WHX
More data for this
Ligand-Target Pair