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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'bojanic' and Initial = 'd'   
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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286792
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H45N5O5/c1-23(2)19-27(37-34(44)39-17-11-4-5-12-18-39)31(40)35-28(21-25-22-38(3)30-16-10-9-15-26(25)30)32(41)36-29(33(42)43)20-24-13-7-6-8-14-24/h6-10,13-16,22-23,27-29H,4-5,11-12,17-21H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t27-,28+,29+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286804
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286795
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C37H48N6O5/c1-24(2)19-29(40-37(48)43-17-11-5-6-12-18-43)34(44)38-30(20-25-22-41(3)32-15-9-7-13-27(25)32)35(45)39-31(36(46)47)21-26-23-42(4)33-16-10-8-14-28(26)33/h7-10,13-16,22-24,29-31H,5-6,11-12,17-21H2,1-4H3,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t29-,30+,31+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286800
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CO)C(O)=O
Show InChI InChI=1S/C28H41N5O6/c1-18(2)14-21(31-28(39)33-12-8-4-5-9-13-33)25(35)29-22(26(36)30-23(17-34)27(37)38)15-19-16-32(3)24-11-7-6-10-20(19)24/h6-7,10-11,16,18,21-23,34H,4-5,8-9,12-15,17H2,1-3H3,(H,29,35)(H,30,36)(H,31,39)(H,37,38)/t21-,22+,23+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286802
PNG
(3-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C28H41N5O5/c1-19(2)16-22(31-28(38)33-14-8-4-5-9-15-33)27(37)30-23(26(36)29-13-12-25(34)35)17-20-18-32(3)24-11-7-6-10-21(20)24/h6-7,10-11,18-19,22-23H,4-5,8-9,12-17H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,34,35)/t22-,23+/m0/s1
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286791
PNG
(4-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C29H43N5O5/c1-20(2)17-23(32-29(39)34-15-8-4-5-9-16-34)28(38)31-24(27(37)30-14-10-13-26(35)36)18-21-19-33(3)25-12-7-6-11-22(21)25/h6-7,11-12,19-20,23-24H,4-5,8-10,13-18H2,1-3H3,(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t23-,24+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050632
PNG
(8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc12
Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3
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n/an/a 156n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050632
PNG
(8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc12
Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286805
PNG
(CHEMBL170121 | [(R)-2-{(S)-2-[(Azepane-1-carbonyl)...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCC(O)=O
Show InChI InChI=1S/C27H39N5O5/c1-18(2)14-21(30-27(37)32-12-8-4-5-9-13-32)26(36)29-22(25(35)28-16-24(33)34)15-19-17-31(3)23-11-7-6-10-20(19)23/h6-7,10-11,17-18,21-22H,4-5,8-9,12-16H2,1-3H3,(H,28,35)(H,29,36)(H,30,37)(H,33,34)/t21-,22+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
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n/an/a 245n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050628
PNG
(8-Ethyl-6-methoxy-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(OC)nc12
Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10-21(15)12-6-7-13(22-2)19-16(12)20/h4-10H,3H2,1-2H3
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n/an/a 258n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286793
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N5O7/c1-18(2)14-21(32-29(41)34-12-8-4-5-9-13-34)26(37)30-22(27(38)31-23(28(39)40)16-25(35)36)15-19-17-33(3)24-11-7-6-10-20(19)24/h6-7,10-11,17-18,21-23H,4-5,8-9,12-16H2,1-3H3,(H,30,37)(H,31,38)(H,32,41)(H,35,36)(H,39,40)/t21-,22+,23+/m0/s1
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n/an/a 295n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286801
PNG
(3-(3-{[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C35H47N5O5/c1-24(2)19-29(38-35(45)40-17-8-4-5-9-18-40)34(44)37-30(21-27-23-39(3)31-14-7-6-13-28(27)31)33(43)36-22-26-12-10-11-25(20-26)15-16-32(41)42/h6-7,10-14,20,23-24,29-30H,4-5,8-9,15-19,21-22H2,1-3H3,(H,36,43)(H,37,44)(H,38,45)(H,41,42)/t29-,30+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050640
PNG
(8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-10-11(2)21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050628
PNG
(8-Ethyl-6-methoxy-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(OC)nc12
Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10-21(15)12-6-7-13(22-2)19-16(12)20/h4-10H,3H2,1-2H3
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n/an/a 598n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286798
PNG
(2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(O)=O
Show InChI InChI=1S/C29H43N5O5/c1-19(2)16-22(31-28(39)34-14-10-6-7-11-15-34)25(35)30-23(26(36)32-29(3,4)27(37)38)17-20-18-33(5)24-13-9-8-12-21(20)24/h8-9,12-13,18-19,22-23H,6-7,10-11,14-17H2,1-5H3,(H,30,35)(H,31,39)(H,32,36)(H,37,38)/t22-,23+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280306
PNG
(8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2cccnc12
Show InChI InChI=1S/C15H13N5/c1-2-19-13-11(5-3-7-16-13)14-18-9-10-20(14)12-6-4-8-17-15(12)19/h3-10H,2H2,1H3
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n/an/a 775n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286794
PNG
(2-{[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1nc(cs1)C(O)=O
Show InChI InChI=1S/C30H40N6O5S/c1-19(2)14-22(34-30(41)36-12-8-4-5-9-13-36)28(38)33-23(15-20-17-35(3)25-11-7-6-10-21(20)25)27(37)31-16-26-32-24(18-42-26)29(39)40/h6-7,10-11,17-19,22-23H,4-5,8-9,12-16H2,1-3H3,(H,31,37)(H,33,38)(H,34,41)(H,39,40)/t22-,23+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280315
PNG
(3,8-Diethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azu...)
Show SMILES CCN1c2ncccc2-c2ncc(CC)n2-c2cccnc12
Show InChI InChI=1S/C17H17N5/c1-3-12-11-20-16-13-7-5-9-18-15(13)21(4-2)17-14(22(12)16)8-6-10-19-17/h5-11H,3-4H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050640
PNG
(8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-10-11(2)21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286803
PNG
((S)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)C(O)=O
Show InChI InChI=1S/C31H47N5O5/c1-20(2)16-24(34-31(41)36-14-10-6-7-11-15-36)28(37)32-25(29(38)33-26(30(39)40)17-21(3)4)18-22-19-35(5)27-13-9-8-12-23(22)27/h8-9,12-13,19-21,24-26H,6-7,10-11,14-18H2,1-5H3,(H,32,37)(H,33,38)(H,34,41)(H,39,40)/t24-,25+,26-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1517
PNG
(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280311
PNG
(8-Ethyl-3-methyl-6-pyrrolidin-1-yl-8H-1,3a,7,8,9-p...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N1CCCC1
Show InChI InChI=1S/C20H22N6/c1-3-25-18-15(7-6-10-21-18)19-22-13-14(2)26(19)16-8-9-17(23-20(16)25)24-11-4-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3
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n/an/a 1.77E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280308
PNG
(8-Ethyl-6-pyrrolidin-1-yl-8H-1,3a,7,8,9-pentaaza-d...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCCC1
Show InChI InChI=1S/C19H20N6/c1-2-24-17-14(6-5-9-20-17)18-21-10-13-25(18)15-7-8-16(22-19(15)24)23-11-3-4-12-23/h5-10,13H,2-4,11-12H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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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n/an/a 2.11E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050637
PNG
((8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C17H18N6/c1-4-22-15-12(6-5-9-18-15)16-19-10-11-23(16)13-7-8-14(21(2)3)20-17(13)22/h5-11H,4H2,1-3H3
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n/an/a 2.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280311
PNG
(8-Ethyl-3-methyl-6-pyrrolidin-1-yl-8H-1,3a,7,8,9-p...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N1CCCC1
Show InChI InChI=1S/C20H22N6/c1-3-25-18-15(7-6-10-21-18)19-22-13-14(2)26(19)16-8-9-17(23-20(16)25)24-11-4-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050638
PNG
(8-Ethyl-2-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nc(C)cn2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-11(2)10-21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280313
PNG
(8-Ethyl-3-methyl-7H,8H-1,3a,7,8,9-pentaaza-dibenzo...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(=O)[nH]c12
Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10(2)21(15)12-6-7-13(22)19-16(12)20/h4-9H,3H2,1-2H3,(H,19,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286799
PNG
(6-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C31H47N5O5/c1-22(2)19-25(34-31(41)36-17-11-4-5-12-18-36)30(40)33-26(29(39)32-16-10-6-7-15-28(37)38)20-23-21-35(3)27-14-9-8-13-24(23)27/h8-9,13-14,21-22,25-26H,4-7,10-12,15-20H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)(H,37,38)/t25-,26+/m0/s1
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n/an/a>3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286796
PNG
(5-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C30H45N5O5/c1-21(2)18-24(33-30(40)35-16-10-4-5-11-17-35)29(39)32-25(28(38)31-15-9-8-14-27(36)37)19-22-20-34(3)26-13-7-6-12-23(22)26/h6-7,12-13,20-21,24-25H,4-5,8-11,14-19H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)(H,36,37)/t24-,25+/m0/s1
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n/an/a>3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286797
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C29H42N6O6/c1-18(2)14-21(33-29(41)35-12-8-4-5-9-13-35)26(37)31-22(27(38)32-23(28(39)40)16-25(30)36)15-19-17-34(3)24-11-7-6-10-20(19)24/h6-7,10-11,17-18,21-23H,4-5,8-9,12-16H2,1-3H3,(H2,30,36)(H,31,37)(H,32,38)(H,33,41)(H,39,40)/t21-,22+,23+/m0/s1
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n/an/a>3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280308
PNG
(8-Ethyl-6-pyrrolidin-1-yl-8H-1,3a,7,8,9-pentaaza-d...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCCC1
Show InChI InChI=1S/C19H20N6/c1-2-24-17-14(6-5-9-20-17)18-21-10-13-25(18)15-7-8-16(22-19(15)24)23-11-3-4-12-23/h5-10,13H,2-4,11-12H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050637
PNG
((8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C17H18N6/c1-4-22-15-12(6-5-9-18-15)16-19-10-11-23(16)13-7-8-14(21(2)3)20-17(13)22/h5-11H,4H2,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280315
PNG
(3,8-Diethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azu...)
Show SMILES CCN1c2ncccc2-c2ncc(CC)n2-c2cccnc12
Show InChI InChI=1S/C17H17N5/c1-3-12-11-20-16-13-7-5-9-18-15(13)21(4-2)17-14(22(12)16)8-6-10-19-17/h5-11H,3-4H2,1-2H3
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n/an/a 5.63E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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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n/an/a 6.44E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280312
PNG
(8-Ethyl-4-methyl-8H-1,2,3,3a,7,8,9-heptaaza-dibenz...)
Show SMILES CCN1c2ncccc2-c2nnnn2-c2c(C)ccnc12
Show InChI InChI=1S/C14H13N7/c1-3-20-12-10(5-4-7-15-12)13-17-18-19-21(13)11-9(2)6-8-16-14(11)20/h4-8H,3H2,1-2H3
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n/an/a 6.72E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280309
PNG
(8-Ethyl-7H,8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azul...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(=O)[nH]c12
Show InChI InChI=1S/C15H13N5O/c1-2-19-13-10(4-3-7-16-13)14-17-8-9-20(14)11-5-6-12(21)18-15(11)19/h3-9H,2H2,1H3,(H,18,21)
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n/an/a 6.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050630
PNG
(8-Cyclopropyl-3-methyl-8H-1,2,3a,7,8,9-hexaaza-dib...)
Show SMILES Cc1nnc2-c3cccnc3N(C3CC3)c3ncccc3-n12
Show InChI InChI=1S/C16H14N6/c1-10-19-20-15-12-4-2-8-17-14(12)22(11-6-7-11)16-13(21(10)15)5-3-9-18-16/h2-5,8-9,11H,6-7H2,1H3
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n/an/a 7.82E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1517
PNG
(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/a 1.03E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050638
PNG
(8-Ethyl-2-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nc(C)cn2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-11(2)10-21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280306
PNG
(8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2cccnc12
Show InChI InChI=1S/C15H13N5/c1-2-19-13-11(5-3-7-16-13)14-18-9-10-20(14)12-6-4-8-17-15(12)19/h3-10H,2H2,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50050630
PNG
(8-Cyclopropyl-3-methyl-8H-1,2,3a,7,8,9-hexaaza-dib...)
Show SMILES Cc1nnc2-c3cccnc3N(C3CC3)c3ncccc3-n12
Show InChI InChI=1S/C16H14N6/c1-10-19-20-15-12-4-2-8-17-14(12)22(11-6-7-11)16-13(21(10)15)5-3-9-18-16/h2-5,8-9,11H,6-7H2,1H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280313
PNG
(8-Ethyl-3-methyl-7H,8H-1,3a,7,8,9-pentaaza-dibenzo...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(=O)[nH]c12
Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10(2)21(15)12-6-7-13(22)19-16(12)20/h4-9H,3H2,1-2H3,(H,19,22)
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n/an/a 1.22E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50280314
PNG
(3,8-Diethyl-8H-1,2,3a,7,8,9-hexaaza-dibenzo[e,h]az...)
Show SMILES CCN1c2ncccc2-c2nnc(CC)n2-c2cccnc12
Show InChI InChI=1S/C16H16N6/c1-3-13-19-20-15-11-7-5-9-17-14(11)21(4-2)16-12(22(13)15)8-6-10-18-16/h5-10H,3-4H2,1-2H3
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n/an/a 2.02E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...

Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
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