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PubMed code 1712396

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229336
PNG
(CYCLODEXTRIN PHOSPHATE | Cyclodextrin Phosphate)
Show SMILES OC1C(O)[C@@H]2O[C@H]3OC(COP(O)=O)[C@@H](O[C@H]4OC(COP(O)=O)[C@@H](O[C@H]5OC(COP(O)=O)[C@@H](O[C@H]6OC(COP(O)=O)[C@@H](O[C@H]7OC(COP(O)=O)[C@@H](O[C@H]8OC(COP(O)=O)[C@@H](O[C@@H]1OC2COP(O)=O)C(Cl)C8O)C(Cl)C7O)C(Cl)C6O)C(OP(O)=O)C5O)C(Cl)C4O)C(Cl)C3O
Show InChI InChI=1S/C42H73Cl5O46P8/c43-15-20(48)36-79-8(1-72-94(56)57)28(15)86-37-21(49)16(44)31(11(80-37)4-75-97(62)63)89-41-26(54)25(53)33(13(84-41)6-77-99(66)67)91-39-23(51)18(46)29(9(82-39)2-73-95(58)59)87-38-22(50)17(45)32(12(81-38)5-76-98(64)65)90-42-27(55)35(93-101(70)71)34(14(85-42)7-78-100(68)69)92-40-24(52)19(47)30(88-36)10(83-40)3-74-96(60)61/h8-42,48-55,94-101H,1-7H2,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28-,29-,30-,31-,32-,33-,34-,35?,36-,37-,38-,39-,40-,41+,42-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229334
PNG
(CHEMBL3706385)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OC1C(OS([O-])(=O)=O)[C@@H]2OC(CSCc3ccccc3)[C@H]1O[C@H]1OC(COS([O-])(=O)=O)[C@@H](O[C@H]3OC(CSCc4ccccc4)[C@@H](O[C@@H]4OC(COS([O-])(=O)=O)[C@@H](O[C@H]5OC(CSCc6ccccc6)[C@@H](O[C@H]6OC(COS([O-])(=O)=O)[C@@H](O[C@H]7OC(COS([O-])(=O)=O)[C@@H](O2)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=O)C5OS([O-])(=O)=O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C63H88O83S20.17K/c64-36-37-33(23-147-20-26-10-4-1-5-11-26)124-57(44(36)134-154(77,78)79)128-38-29(16-116-150(65,66)67)121-59(52(142-162(101,102)103)45(38)135-155(80,81)82)129-39-31(18-118-152(71,72)73)122-60(53(143-163(104,105)106)47(39)137-157(86,87)88)132-42-35(25-149-22-28-14-8-3-9-15-28)126-63(56(146-166(113,114)115)50(42)140-160(95,96)97)131-41-32(19-119-153(74,75)76)123-61(54(144-164(107,108)109)48(41)138-158(89,90)91)133-43-34(24-148-21-27-12-6-2-7-13-27)125-62(55(145-165(110,111)112)49(43)139-159(92,93)94)130-40-30(17-117-151(68,69)70)120-58(127-37)51(141-161(98,99)100)46(40)136-156(83,84)85;;;;;;;;;;;;;;;;;/h1-15,29-64H,16-25H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115);;;;;;;;;;;;;;;;;/q;17*+1/p-17/t29?,30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57-,58-,59-,60-,61+,62-,63-;;;;;;;;;;;;;;;;;/m1................./s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229338
PNG
(CHEMBL3706383)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COc1ccc(NCC2O[C@@H]3O[C@@H]4C(CNc5ccc(OC)cc5)O[C@H](O[C@@H]5C(CNc6ccc(OC)cc6)O[C@H](O[C@@H]6C(CNc7ccc(OC)cc7)O[C@H](O[C@@H]7C(CNc8ccc(OC)cc8)O[C@@H](O[C@@H]8C(CNc9ccc(OC)cc9)O[C@H](O[C@@H]9C(CNc%10ccc(OC)cc%10)O[C@H](O[C@H]2C(O)C3OS([O-])(=O)=O)C(OS([O-])(=O)=O)C9OS([O-])(=O)=O)C(OS([O-])(=O)=O)C8OS([O-])(=O)=O)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6O)C(OS([O-])(=O)=O)C5OS([O-])(=O)=O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C91H119N7O71S12.12Na/c1-137-50-22-8-43(9-23-50)92-36-57-66-64(99)74(159-171(104,105)106)86(145-57)154-69-60(39-95-46-14-28-53(140-4)29-15-46)149-90(83(168-180(131,132)133)76(69)161-173(110,111)112)157-72-63(42-98-49-20-34-56(143-7)35-21-49)150-91(84(169-181(134,135)136)79(72)164-176(119,120)121)156-71-62(41-97-48-18-32-55(142-6)33-19-48)147-88(81(166-178(125,126)127)78(71)163-175(116,117)118)152-67-58(37-93-44-10-24-51(138-2)25-11-44)144-85(73(65(67)100)158-170(101,102)103)153-68-59(38-94-45-12-26-52(139-3)27-13-45)148-89(82(167-179(128,129)130)75(68)160-172(107,108)109)155-70-61(40-96-47-16-30-54(141-5)31-17-47)146-87(151-66)80(165-177(122,123)124)77(70)162-174(113,114)115;;;;;;;;;;;;/h8-35,57-100H,36-42H2,1-7H3,(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115)(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136);;;;;;;;;;;;/q;12*+1/p-12/t57?,58?,59?,60?,61?,62?,63?,64?,65?,66-,67-,68-,69-,70-,71-,72-,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85-,86-,87-,88-,89-,90+,91-;;;;;;;;;;;;/m1............/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 706n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229335
PNG
(CYCLODEXTRIN SULFATE (CDS) | Cyclodextrin Sulfate)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OC1C(OS([O-])(=O)=O)[C@H]2OC(COS([O-])(=O)=O)[C@H]1O[C@H]1OC(COS([O-])(=O)=O)[C@@H](O[C@H]3OC(COS([O-])(=O)=O)[C@@H](O[C@H]4OC(COS([O-])(=O)=O)[C@@H](O[C@H]5OC(COS([O-])(=O)=O)[C@@H](O[C@H]6OC(COS([O-])(=O)=O)[C@@H](O[C@H]7OC(COS([O-])(=O)=O)[C@@H](O2)C(O)C7OS([O-])(=O)=O)C(O)C6OS([O-])(=O)=O)C(O)C5OS([O-])(=O)=O)C(O)C4OS([O-])(=O)=O)C(O)C3OS([O-])(=O)=O)C(O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C42H70O77S14.14K/c43-15-22-8(1-92-120(50,51)52)99-36(29(15)113-127(71,72)73)107-23-9(2-93-121(53,54)55)101-38(31(16(23)44)115-129(77,78)79)109-25-11(4-95-123(59,60)61)103-40(33(18(25)46)117-131(83,84)85)111-27-13(6-97-125(65,66)67)105-42(35(20(27)48)119-133(89,90)91)112-28-14(7-98-126(68,69)70)104-41(34(21(28)49)118-132(86,87)88)110-26-12(5-96-124(62,63)64)102-39(32(19(26)47)116-130(80,81)82)108-24-10(3-94-122(56,57)58)100-37(106-22)30(17(24)45)114-128(74,75)76;;;;;;;;;;;;;;/h8-49H,1-7H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91);;;;;;;;;;;;;;/q;14*+1/p-14/t8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22-,23-,24-,25-,26-,27-,28-,29?,30?,31?,32?,33?,34?,35?,36-,37-,38-,39-,40-,41-,42+;;;;;;;;;;;;;;/m1............../s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229337
PNG
(CHEMBL3706384)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].Cc1cc(C)c(c(C)c1)S(=O)(=O)OCC1O[C@@H]2O[C@@H]3C(COS([O-])(=O)=O)O[C@H](O[C@@H]4C(COS([O-])(=O)=O)O[C@H](O[C@@H]5C(COS([O-])(=O)=O)O[C@H](O[C@@H]6C(COS([O-])(=O)=O)O[C@@H](O[C@@H]7C(COS([O-])(=O)=O)O[C@H](O[C@@H]8C(COS([O-])(=O)=O)O[C@H](O[C@H]1C(O)C2OS([O-])(=O)=O)C(OS([O-])(=O)=O)C8O)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=O)C5O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3O
Show InChI InChI=1S/C51H80O85S17.16K/c1-13-4-14(2)44(15(3)5-13)137(56,57)106-6-16-27-23(52)34(127-144(76,77)78)45(113-16)121-28-17(7-107-138(58,59)60)115-47(36(24(28)53)129-146(82,83)84)124-31-20(10-110-141(67,68)69)117-49(41(134-151(97,98)99)38(31)131-148(88,89)90)123-30-19(9-109-140(64,65)66)116-48(37(26(30)55)130-147(85,86)87)125-32-21(11-111-142(70,71)72)119-51(43(136-153(103,104)105)39(32)132-149(91,92)93)126-33-22(12-112-143(73,74)75)118-50(42(135-152(100,101)102)40(33)133-150(94,95)96)122-29-18(8-108-139(61,62)63)114-46(120-27)35(25(29)54)128-145(79,80)81;;;;;;;;;;;;;;;;/h4-5,16-43,45-55H,6-12H2,1-3H3,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105);;;;;;;;;;;;;;;;/q;16*+1/p-16/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31-,32-,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45-,46-,47-,48-,49-,50-,51+;;;;;;;;;;;;;;;;/m1................/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%