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15 similar compounds to monomer 1971

Compile data set for download or QSAR
Wt: 282.3
BDBM1980
Wt: 282.3
BDBM1988
Wt: 251.2
BDBM1972
Wt: 253.2
BDBM1973
Wt: 253.2
BDBM1974
Wt: 240.2
BDBM1976
Purchase
Wt: 254.2
BDBM1977
Purchase
Wt: 239.2
BDBM1978
Wt: 254.2
BDBM1979
Wt: 268.3
BDBM1981
Wt: 268.3
BDBM1982
Wt: 255.2
BDBM1989
Wt: 253.2
BDBM1991
Wt: 269.2
BDBM1993
Wt: 434.4
BDBM50129470

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 1980,1988,1972,1973,1974,1976,1977,1978,1979,1981,1982,1989,1991,1993,50129470   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1972
PNG
(9-(prop-2-en-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,...)
Show SMILES C=CCN1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h2-10H,1,11H2
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PubMed
n/an/a 465n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129470
PNG
(CHEMBL71283 | N-[4-(11H-Dibenzo[b,f][1,4]oxazepine...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C28H22N2O3/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-6-12-25(21)33-26-13-7-5-11-24(26)30/h2-17H,18H2,1H3,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00388-3
BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1974
PNG
(9-(propan-2-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]...)
Show SMILES CC(C)N1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-11(2)17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-11H,1-2H3
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Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1976
PNG
(13-amino-9-methyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8...)
Show SMILES CN1c2ccccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H12N2O2/c1-16-11-4-2-3-5-13(11)18-12-7-6-9(15)8-10(12)14(16)17/h2-8H,15H2,1H3
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n/an/a 180n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1977
PNG
(13-amino-9-ethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}...)
Show SMILES CCN1c2ccccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C15H14N2O2/c1-2-17-12-5-3-4-6-14(12)19-13-8-7-10(16)9-11(13)15(17)18/h3-9H,2,16H2,1H3
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n/an/a 145n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1978
PNG
(5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pen...)
Show SMILES CN1c2ccc(C)cc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13NO2/c1-10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)15(17)16(12)2/h3-9H,1-2H3
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n/an/a 600n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1979
PNG
(13-amino-5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^...)
Show SMILES CN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C15H14N2O2/c1-9-3-5-12-14(7-9)19-13-6-4-10(16)8-11(13)15(18)17(12)2/h3-8H,16H2,1-2H3
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n/an/a 30n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1980
PNG
(13-amino-5-methyl-9-propyl-2-oxa-9-azatricyclo[9.4...)
Show SMILES CCCN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C17H18N2O2/c1-3-8-19-14-6-4-11(2)9-16(14)21-15-7-5-12(18)10-13(15)17(19)20/h4-7,9-10H,3,8,18H2,1-2H3
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n/an/a 130n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1981
PNG
(13-amino-9-ethyl-6-methyl-2-oxa-9-azatricyclo[9.4....)
Show SMILES CCN1c2cc(C)ccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-3-18-13-8-10(2)4-6-15(13)20-14-7-5-11(17)9-12(14)16(18)19/h4-9H,3,17H2,1-2H3
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n/an/a 240n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1982
PNG
(13-amino-9-ethyl-7-methyl-2-oxa-9-azatricyclo[9.4....)
Show SMILES CCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-3-18-15-10(2)5-4-6-14(15)20-13-8-7-11(17)9-12(13)16(18)19/h4-9H,3,17H2,1-2H3
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n/an/a 60n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1988
PNG
(13-amino-9-ethyl-5,7-dimethyl-2-oxa-9-azatricyclo[...)
Show SMILES CCN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C17H18N2O2/c1-4-19-16-11(3)7-10(2)8-15(16)21-14-6-5-12(18)9-13(14)17(19)20/h5-9H,4,18H2,1-3H3
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n/an/a 43n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1989
PNG
(13-hydroxy-5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0....)
Show SMILES CN1c2ccc(C)cc2Oc2ccc(O)cc2C1=O
Show InChI InChI=1S/C15H13NO3/c1-9-3-5-12-14(7-9)19-13-6-4-10(17)8-11(13)15(18)16(12)2/h3-8,17H,1-2H3
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n/an/a 640n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1991
PNG
(5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-10-8-11(2)15-14(9-10)19-13-7-5-4-6-12(13)16(18)17(15)3/h4-9H,1-3H3
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Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1993
PNG
(13-hydroxy-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H15NO3/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(18)8-12(13)16(19)17(15)3/h4-8,18H,1-3H3
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n/an/a 63n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50129470
PNG
(CHEMBL71283 | N-[4-(11H-Dibenzo[b,f][1,4]oxazepine...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C28H22N2O3/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-6-12-25(21)33-26-13-7-5-11-24(26)30/h2-17H,18H2,1H3,(H,29,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00388-3
BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1973
PNG
(9-propyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentade...)
Show SMILES CCCN1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-10H,2,11H2,1H3
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n/an/a 375n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair