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Compile Data Set for Download or QSAR

Found 20 hits from CSIR   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50334788
PNG
((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
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US Patent
n/an/a 25n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
This work was performed at the MDS Pharma Services, Pharmacology Laboratories, Taiwan. The assay was an in vitro evaluation of the ability of an extr...


US Patent US9061023 (2015)


BindingDB Entry DOI: 10.7270/Q2MC8XR2
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2195
PNG
(SM36 | US8501787, 171)
Show SMILES Cc1cccc2nc(c(NC3CCCC3)n12)-c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN3/c1-13-7-6-12-17-22-18(15-10-4-5-11-16(15)20)19(23(13)17)21-14-8-2-3-9-14/h4-7,10-12,14,21H,2-3,8-9H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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 4.39E+3n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2126
PNG
(DG 402-49760 | US8501787, 48)
Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCC1
Show InChI InChI=1S/C18H17Cl2N3/c19-14-9-4-3-8-13(14)17-18(21-12-6-1-2-7-12)23-15(20)10-5-11-16(23)22-17/h3-5,8-12,21H,1-2,6-7H2
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n/an/a 5.14E+3n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2117
PNG
(DG 402-49651 | US8501787, 43)
Show SMILES Brc1ccccc1-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20BrN3/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 1.00E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50269532
PNG
((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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n/an/a 1.40E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
This work was performed at the MDS Pharma Services, Pharmacology Laboratories, Taiwan. The assay was an in vitro evaluation of the ability of an extr...


US Patent US9061023 (2015)


BindingDB Entry DOI: 10.7270/Q2MC8XR2
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(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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n/an/a 1.45E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2194
PNG
(SM35 | US8501787, 170)
Show SMILES Cc1cccn2c(NC3CCCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN3/c1-13-7-6-12-23-18(13)22-17(15-10-4-5-11-16(15)20)19(23)21-14-8-2-3-9-14/h4-7,10-12,14,21H,2-3,8-9H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2161
PNG
(DG 402-49686 | US8501787, 89)
Show SMILES Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N3/c20-13-9-10-15(16(21)12-13)18-19(22-14-6-2-1-3-7-14)24-11-5-4-8-17(24)23-18/h4-5,8-12,14,22H,1-3,6-7H2
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n/an/a 2.18E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM2158
PNG
(DG 402-49648 | US8501787, 74)
Show SMILES Cc1ccc(Cl)c(-c2nc3ccccn3c2NC2CCCCC2)c1F
Show InChI InChI=1S/C20H21ClFN3/c1-13-10-11-15(21)17(18(13)22)19-20(23-14-7-3-2-4-8-14)25-12-6-5-9-16(25)24-19/h5-6,9-12,14,23H,2-4,7-8H2,1H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).


US Patent US8501767 (2013)


BindingDB Entry DOI: 10.7270/Q2Z60MPS
More data for this
Ligand-Target Pair