BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 29 hits of ec50 data for polymerid = 50006685   
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
GP41


(Human immunodeficiency virus 1)
BDBM50023611
PNG
(CHEMBL2380932)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C186H283N51O64S/c1-18-88(12)148(182(298)218-113(47-58-145(262)263)160(276)211-112(46-57-144(260)261)164(280)231-129(80-238)179(295)216-107(41-52-135(191)247)161(277)226-125(73-137(193)249)171(287)214-106(40-51-134(190)246)157(273)207-104(38-49-132(188)244)155(271)209-108(42-53-140(252)253)158(274)205-102(32-25-26-61-187)154(270)225-124(72-136(192)248)172(288)215-109(43-54-141(254)255)159(275)208-105(39-50-133(189)245)156(272)210-110(44-55-142(256)257)162(278)220-117(65-85(6)7)167(283)219-116(152(196)268)64-84(4)5)235-176(292)118(66-86(8)9)221-180(296)130(81-239)232-170(286)123(71-96-79-199-83-203-96)229-183(299)150(90(14)20-3)236-177(293)119(67-87(10)11)222-181(297)131(82-240)233-185(301)151(91(15)241)237-178(294)120(68-93-34-36-97(243)37-35-93)223-173(289)126(74-138(194)250)227-174(290)127(75-139(195)251)230-184(300)149(89(13)19-2)234-166(282)114(48-59-146(264)265)213-153(269)103(33-27-62-200-186(197)198)206-175(291)128(76-147(266)267)228-169(285)122(70-95-78-202-101-31-24-22-29-99(95)101)224-163(279)111(45-56-143(258)259)212-165(281)115(60-63-302-17)217-168(284)121(204-92(16)242)69-94-77-201-100-30-23-21-28-98(94)100/h21-24,28-31,34-37,77-79,83-91,102-131,148-151,201-202,238-241,243H,18-20,25-27,32-33,38-76,80-82,187H2,1-17H3,(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,268)(H,199,203)(H,204,242)(H,205,274)(H,206,291)(H,207,273)(H,208,275)(H,209,271)(H,210,272)(H,211,276)(H,212,281)(H,213,269)(H,214,287)(H,215,288)(H,216,295)(H,217,284)(H,218,298)(H,219,283)(H,220,278)(H,221,296)(H,222,297)(H,223,289)(H,224,279)(H,225,270)(H,226,277)(H,227,290)(H,228,285)(H,229,299)(H,230,300)(H,231,280)(H,232,286)(H,233,301)(H,234,282)(H,235,292)(H,236,293)(H,237,294)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,200)/t88-,89-,90-,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,148-,149-,150-,151-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023610
PNG
(CHEMBL3341857)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C182H286N44O57/c1-23-70-282-176(281)182-65-63-177(16,17)81-102(182)101-37-47-128-179(20)61-59-129(178(18,19)127(179)58-62-181(128,22)180(101,21)64-66-182)283-145(253)57-34-98-83-226(225-224-98)84-139(242)194-68-29-27-30-103(149(192)254)198-138(241)60-69-195-150(255)114(71-89(4)5)209-161(266)115(72-90(6)7)210-159(264)111(44-54-142(247)248)203-153(258)106(39-49-131(185)234)201-156(261)110(43-53-141(245)246)206-165(270)121(78-135(189)238)214-151(256)104(31-26-28-67-183)199-155(260)109(42-52-140(243)244)202-152(257)105(38-48-130(184)233)200-154(259)107(40-50-132(186)235)205-164(269)122(79-136(190)239)215-158(263)108(41-51-133(187)236)207-170(275)124(85-227)218-160(265)112(45-55-143(249)250)204-157(262)113(46-56-144(251)252)208-173(278)146(93(12)24-2)221-167(272)116(73-91(8)9)211-171(276)125(86-228)219-162(267)119(76-99-82-193-88-196-99)217-174(279)147(94(13)25-3)222-168(273)117(74-92(10)11)212-172(277)126(87-229)220-175(280)148(95(14)230)223-169(274)118(75-97-32-35-100(232)36-33-97)213-166(271)123(80-137(191)240)216-163(268)120(77-134(188)237)197-96(15)231/h23,32-33,35-37,82-83,88-95,102-129,146-148,227-230,232H,1,24-31,34,38-81,84-87,183H2,2-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146-,147-,148-,179-,180+,181+,182-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023609
PNG
(CHEMBL3341856)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C182H286N44O57/c1-23-70-282-177(281)182-64-58-94(14)95(15)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-99-82-226(225-224-99)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(92(12)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-100-81-193-87-196-100)217-175(279)148(93(13)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(96(16)230)223-170(274)118(75-98-32-35-101(232)36-33-98)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-97(17)231/h23,32-33,35-37,81-82,87-96,103-129,146-149,227-230,232H,1,24-31,34,38-80,83-86,183H2,2-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t92-,93-,94+,95-,96+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146-,147-,148-,149-,179-,180+,181+,182-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023614
PNG
(CHEMBL3341854)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C182H286N44O57/c1-23-70-282-177(281)182-64-58-101(92(12)13)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-98-82-226(225-224-98)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(93(14)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-99-81-193-87-196-99)217-175(279)148(94(15)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(95(16)230)223-170(274)118(75-97-32-35-100(232)36-33-97)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-96(17)231/h23,32-33,35-36,81-82,87-91,93-95,101-129,146-149,227-230,232H,1,12,24-31,34,37-80,83-86,183H2,2-11,13-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146+,147-,148-,149-,179-,180+,181+,182-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.90n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023608
PNG
(CHEMBL3341855)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)C(N)=O
Show InChI InChI=1/C179H282N44O57/c1-23-90(13)144(218-165(269)114(69-87(7)8)208-169(273)123(81-225)216-160(264)117(72-96-77-190-84-193-96)214-172(276)145(91(14)24-2)219-166(270)115(70-88(9)10)209-170(274)124(82-226)217-173(277)146(92(15)227)220-167(271)116(71-95-31-33-98(230)34-32-95)210-164(268)121(76-135(188)238)213-161(265)118(73-132(185)235)194-93(16)228)171(275)205-111(44-54-142(249)250)155(259)201-110(43-53-141(247)248)158(262)215-122(80-224)168(272)204-106(39-49-131(184)234)156(260)212-120(75-134(187)237)162(266)202-105(38-48-130(183)233)152(256)197-103(36-46-128(181)231)150(254)199-107(40-50-138(241)242)153(257)196-102(30-25-27-64-180)149(253)211-119(74-133(186)236)163(267)203-108(41-51-139(243)244)154(258)198-104(37-47-129(182)232)151(255)200-109(42-52-140(245)246)157(261)207-113(68-86(5)6)159(263)206-112(67-85(3)4)148(252)192-66-58-136(239)195-101(147(189)251)29-26-28-65-191-137(240)79-223-78-97(221-222-223)83-279-174(278)179-61-55-99(89(11)12)143(179)100-35-45-126-176(20)59-57-127(280-94(17)229)175(18,19)125(176)56-60-178(126,22)177(100,21)62-63-179/h31-34,77-78,84-88,90-92,99-127,143-146,224-227,230H,11,23-30,35-76,79-83,180H2,1-10,12-22H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,237)(H2,188,238)(H2,189,251)(H,190,193)(H,191,240)(H,192,252)(H,194,228)(H,195,239)(H,196,257)(H,197,256)(H,198,258)(H,199,254)(H,200,255)(H,201,259)(H,202,266)(H,203,267)(H,204,272)(H,205,275)(H,206,263)(H,207,261)(H,208,273)(H,209,274)(H,210,268)(H,211,253)(H,212,260)(H,213,265)(H,214,276)(H,215,262)(H,216,264)(H,217,277)(H,218,269)(H,219,270)(H,220,271)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)/t90-,91-,92+,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,143+,144-,145-,146-,176-,177+,178+,179-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.90n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023615
PNG
(CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,166-,167-,168-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023614
PNG
(CHEMBL3341854)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C182H286N44O57/c1-23-70-282-177(281)182-64-58-101(92(12)13)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-98-82-226(225-224-98)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(93(14)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-99-81-193-87-196-99)217-175(279)148(94(15)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(95(16)230)223-170(274)118(75-97-32-35-100(232)36-33-97)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-96(17)231/h23,32-33,35-36,81-82,87-91,93-95,101-129,146-149,227-230,232H,1,12,24-31,34,37-80,83-86,183H2,2-11,13-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146+,147-,148-,149-,179-,180+,181+,182-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023615
PNG
(CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,166-,167-,168-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023623
PNG
(CHEMBL3341847)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-21-85(13)137(163(263)195-103(40-50-134(237)238)147(247)191-102(39-49-133(235)236)150(250)205-114(76-214)160(260)194-98(35-45-123(176)222)148(248)202-112(71-126(179)225)154(254)192-97(34-44-122(175)221)144(244)187-95(32-42-120(173)219)142(242)189-99(36-46-130(229)230)145(245)186-94(25-23-24-61-172)141(241)201-111(70-125(178)224)155(255)193-100(37-47-131(231)232)146(246)188-96(33-43-121(174)220)143(243)190-101(38-48-132(233)234)149(249)197-105(64-81(5)6)151(251)196-104(140(181)240)63-80(3)4)208-157(257)106(65-82(7)8)198-161(261)115(77-215)206-152(252)109(68-90-73-182-79-184-90)204-164(264)138(86(14)22-2)209-158(258)107(66-83(9)10)199-162(262)116(78-216)207-165(265)139(87(15)217)210-159(259)108(67-88-26-29-91(218)30-27-88)200-156(256)113(72-127(180)226)203-153(253)110(69-124(177)223)185-128(227)55-62-183-129(228)75-213-74-89(211-212-213)28-51-135(239)268-119-54-56-168(18)117(167(119,16)17)53-57-170(20)118(168)41-31-93-136-92(84(11)12)52-58-171(136,166(266)267)60-59-169(93,170)19/h26-27,29-30,73-74,79-83,85-87,92-119,136-139,214-218H,11,21-25,28,31-72,75-78,172H2,1-10,12-20H3,(H2,173,219)(H2,174,220)(H2,175,221)(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,240)(H,182,184)(H,183,228)(H,185,227)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)/t85-,86-,87+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,136+,137-,138-,139-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023612
PNG
(CHEMBL3341852)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)C(N)=O
Show InChI InChI=1/C177H280N44O56/c1-22-89(13)142(216-163(267)112(68-86(7)8)206-167(271)121(80-223)214-158(262)115(71-94-76-188-83-191-94)212-170(274)143(90(14)23-2)217-164(268)113(69-87(9)10)207-168(272)122(81-224)215-171(275)144(91(15)225)218-165(269)114(70-93-30-32-96(227)33-31-93)208-162(266)119(75-133(186)236)211-159(263)116(72-130(183)233)192-92(16)226)169(273)203-109(43-53-140(247)248)153(257)199-108(42-52-139(245)246)156(260)213-120(79-222)166(270)202-104(38-48-129(182)232)154(258)210-118(74-132(185)235)160(264)200-103(37-47-128(181)231)150(254)195-101(35-45-126(179)229)148(252)197-105(39-49-136(239)240)151(255)194-100(29-24-26-63-178)147(251)209-117(73-131(184)234)161(265)201-106(40-50-137(241)242)152(256)196-102(36-46-127(180)230)149(253)198-107(41-51-138(243)244)155(259)205-111(67-85(5)6)157(261)204-110(66-84(3)4)146(250)190-65-57-134(237)193-99(145(187)249)28-25-27-64-189-135(238)78-221-77-95(219-220-221)82-277-172(276)177-60-54-97(88(11)12)141(177)98-34-44-124-174(19)58-56-125(228)173(17,18)123(174)55-59-176(124,21)175(98,20)61-62-177/h30-33,76-77,83-87,89-91,97-125,141-144,222-225,227-228H,11,22-29,34-75,78-82,178H2,1-10,12-21H3,(H2,179,229)(H2,180,230)(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,249)(H,188,191)(H,189,238)(H,190,250)(H,192,226)(H,193,237)(H,194,255)(H,195,254)(H,196,256)(H,197,252)(H,198,253)(H,199,257)(H,200,264)(H,201,265)(H,202,270)(H,203,273)(H,204,261)(H,205,259)(H,206,271)(H,207,272)(H,208,266)(H,209,251)(H,210,258)(H,211,263)(H,212,274)(H,213,260)(H,214,262)(H,215,275)(H,216,267)(H,217,268)(H,218,269)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)/t89-,90-,91+,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,141+,142-,143-,144-,174-,175+,176+,177-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023621
PNG
(CHEMBL3341849)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-21-85(11)136(162(263)195-103(40-50-134(237)238)146(247)191-102(39-49-133(235)236)149(250)205-114(77-214)159(260)194-98(35-45-123(176)222)147(248)202-112(71-126(179)225)153(254)192-97(34-44-122(175)221)143(244)187-95(32-42-120(173)219)141(242)189-99(36-46-130(229)230)144(245)186-94(25-23-24-61-172)140(241)201-111(70-125(178)224)154(255)193-100(37-47-131(231)232)145(246)188-96(33-43-121(174)220)142(243)190-101(38-48-132(233)234)148(249)197-105(64-82(5)6)150(251)196-104(139(181)240)63-81(3)4)208-156(257)106(65-83(7)8)198-160(261)115(78-215)206-151(252)109(68-90-74-182-80-184-90)204-163(264)137(86(12)22-2)209-157(258)107(66-84(9)10)199-161(262)116(79-216)207-164(265)138(87(13)217)210-158(259)108(67-88-26-29-91(218)30-27-88)200-155(256)113(72-127(180)226)203-152(253)110(69-124(177)223)185-128(227)54-62-183-129(228)76-213-75-89(211-212-213)28-51-135(239)268-119-53-55-168(18)117(167(119,16)17)52-56-170(20)118(168)41-31-92-93-73-166(14,15)57-59-171(93,165(266)267)60-58-169(92,170)19/h26-27,29-31,74-75,80-87,93-119,136-138,214-218H,21-25,28,32-73,76-79,172H2,1-20H3,(H2,173,219)(H2,174,220)(H2,175,221)(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,240)(H,182,184)(H,183,228)(H,185,227)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)/t85-,86-,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,136-,137-,138-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 29n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023613
PNG
(CHEMBL3341853)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C179H282N44O57/c1-22-90(13)144(218-165(269)113(70-87(7)8)208-169(273)122(82-225)216-160(264)116(73-96-78-190-84-193-96)214-172(276)145(91(14)23-2)219-166(270)114(71-88(9)10)209-170(274)123(83-226)217-173(277)146(92(15)227)220-167(271)115(72-94-30-33-97(229)34-31-94)210-164(268)120(77-134(188)237)213-161(265)117(74-131(185)234)194-93(16)228)171(275)205-110(44-54-141(248)249)155(259)201-109(43-53-140(246)247)158(262)215-121(81-224)168(272)204-105(39-49-130(184)233)156(260)212-119(76-133(187)236)162(266)202-104(38-48-129(183)232)152(256)197-102(36-46-127(181)230)150(254)199-106(40-50-137(240)241)153(257)196-101(29-24-26-65-180)149(253)211-118(75-132(186)235)163(267)203-107(41-51-138(242)243)154(258)198-103(37-47-128(182)231)151(255)200-108(42-52-139(244)245)157(261)207-112(69-86(5)6)159(263)206-111(68-85(3)4)148(252)192-67-59-135(238)195-100(147(189)251)28-25-27-66-191-136(239)80-223-79-95(221-222-223)32-55-142(250)280-126-58-60-176(19)124(175(126,17)18)57-61-178(21)125(176)45-35-99-143-98(89(11)12)56-62-179(143,174(278)279)64-63-177(99,178)20/h30-31,33-34,78-79,84-88,90-92,98-126,143-146,224-227,229H,11,22-29,32,35-77,80-83,180H2,1-10,12-21H3,(H2,181,230)(H2,182,231)(H2,183,232)(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,251)(H,190,193)(H,191,239)(H,192,252)(H,194,228)(H,195,238)(H,196,257)(H,197,256)(H,198,258)(H,199,254)(H,200,255)(H,201,259)(H,202,266)(H,203,267)(H,204,272)(H,205,275)(H,206,263)(H,207,261)(H,208,273)(H,209,274)(H,210,268)(H,211,253)(H,212,260)(H,213,265)(H,214,276)(H,215,262)(H,216,264)(H,217,277)(H,218,269)(H,219,270)(H,220,271)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,278,279)/t90-,91-,92+,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,143+,144-,145-,146-,176-,177+,178+,179-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 44n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023622
PNG
(CHEMBL3341848)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-21-84(11)137(163(263)195-103(40-50-134(237)238)147(247)191-102(39-49-133(235)236)150(250)205-114(76-214)160(260)194-98(35-45-123(176)222)148(248)202-112(71-126(179)225)154(254)192-97(34-44-122(175)221)144(244)187-95(32-42-120(173)219)142(242)189-99(36-46-130(229)230)145(245)186-94(25-23-24-61-172)141(241)201-111(70-125(178)224)155(255)193-100(37-47-131(231)232)146(246)188-96(33-43-121(174)220)143(243)190-101(38-48-132(233)234)149(249)197-105(64-81(5)6)151(251)196-104(140(181)240)63-80(3)4)208-157(257)106(65-82(7)8)198-161(261)115(77-215)206-152(252)109(68-91-73-182-79-184-91)204-164(264)138(85(12)22-2)209-158(258)107(66-83(9)10)199-162(262)116(78-216)207-165(265)139(88(15)217)210-159(259)108(67-89-26-29-92(218)30-27-89)200-156(256)113(72-127(180)226)203-153(253)110(69-124(177)223)185-128(227)55-62-183-129(228)75-213-74-90(211-212-213)28-51-135(239)268-119-54-56-168(18)117(167(119,16)17)53-57-170(20)118(168)41-31-93-136-87(14)86(13)52-58-171(136,166(266)267)60-59-169(93,170)19/h26-27,29-31,73-74,79-88,94-119,136-139,214-218H,21-25,28,32-72,75-78,172H2,1-20H3,(H2,173,219)(H2,174,220)(H2,175,221)(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,240)(H,182,184)(H,183,228)(H,185,227)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)/t84-,85-,86+,87-,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,136-,137-,138-,139-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023626
PNG
(CHEMBL3341844)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C169H266N42O54/c1-21-84(13)135(161(261)193-102(39-49-133(236)237)145(245)189-101(38-48-132(234)235)148(248)203-113(74-212)158(258)192-97(34-44-122(174)221)146(246)200-111(69-125(177)224)152(252)190-96(33-43-121(173)220)142(242)185-94(31-41-119(171)218)140(240)187-98(35-45-129(228)229)143(243)184-93(25-23-24-59-170)139(239)199-110(68-124(176)223)153(253)191-99(36-46-130(230)231)144(244)186-95(32-42-120(172)219)141(241)188-100(37-47-131(232)233)147(247)195-104(62-80(5)6)149(249)194-103(138(179)238)61-79(3)4)206-155(255)105(63-81(7)8)196-159(259)114(75-213)204-150(250)108(66-88-71-180-78-182-88)202-162(262)136(85(14)22-2)207-156(256)106(64-82(9)10)197-160(260)115(76-214)205-163(263)137(86(15)215)208-157(257)107(65-87-26-28-90(216)29-27-87)198-154(254)112(70-126(178)225)201-151(251)109(67-123(175)222)183-127(226)53-60-181-128(227)73-211-72-89(209-210-211)77-265-164(264)169-56-50-91(83(11)12)134(169)92-30-40-117-166(18)54-52-118(217)165(16,17)116(166)51-55-168(117,20)167(92,19)57-58-169/h26-29,71-72,78-82,84-86,91-118,134-137,212-217H,11,21-25,30-70,73-77,170H2,1-10,12-20H3,(H2,171,218)(H2,172,219)(H2,173,220)(H2,174,221)(H2,175,222)(H2,176,223)(H2,177,224)(H2,178,225)(H2,179,238)(H,180,182)(H,181,227)(H,183,226)(H,184,243)(H,185,242)(H,186,244)(H,187,240)(H,188,241)(H,189,245)(H,190,252)(H,191,253)(H,192,258)(H,193,261)(H,194,249)(H,195,247)(H,196,259)(H,197,260)(H,198,254)(H,199,239)(H,200,246)(H,201,251)(H,202,262)(H,203,248)(H,204,250)(H,205,263)(H,206,255)(H,207,256)(H,208,257)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)/t84-,85-,86+,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,134+,135-,136-,137-,166-,167+,168+,169-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 89n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023623
PNG
(CHEMBL3341847)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-21-85(13)137(163(263)195-103(40-50-134(237)238)147(247)191-102(39-49-133(235)236)150(250)205-114(76-214)160(260)194-98(35-45-123(176)222)148(248)202-112(71-126(179)225)154(254)192-97(34-44-122(175)221)144(244)187-95(32-42-120(173)219)142(242)189-99(36-46-130(229)230)145(245)186-94(25-23-24-61-172)141(241)201-111(70-125(178)224)155(255)193-100(37-47-131(231)232)146(246)188-96(33-43-121(174)220)143(243)190-101(38-48-132(233)234)149(249)197-105(64-81(5)6)151(251)196-104(140(181)240)63-80(3)4)208-157(257)106(65-82(7)8)198-161(261)115(77-215)206-152(252)109(68-90-73-182-79-184-90)204-164(264)138(86(14)22-2)209-158(258)107(66-83(9)10)199-162(262)116(78-216)207-165(265)139(87(15)217)210-159(259)108(67-88-26-29-91(218)30-27-88)200-156(256)113(72-127(180)226)203-153(253)110(69-124(177)223)185-128(227)55-62-183-129(228)75-213-74-89(211-212-213)28-51-135(239)268-119-54-56-168(18)117(167(119,16)17)53-57-170(20)118(168)41-31-93-136-92(84(11)12)52-58-171(136,166(266)267)60-59-169(93,170)19/h26-27,29-30,73-74,79-83,85-87,92-119,136-139,214-218H,11,21-25,28,31-72,75-78,172H2,1-10,12-20H3,(H2,173,219)(H2,174,220)(H2,175,221)(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,240)(H,182,184)(H,183,228)(H,185,227)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)/t85-,86-,87+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,136+,137-,138-,139-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 117n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023614
PNG
(CHEMBL3341854)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1/C182H286N44O57/c1-23-70-282-177(281)182-64-58-101(92(12)13)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-98-82-226(225-224-98)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(93(14)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-99-81-193-87-196-99)217-175(279)148(94(15)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(95(16)230)223-170(274)118(75-97-32-35-100(232)36-33-97)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-96(17)231/h23,32-33,35-36,81-82,87-91,93-95,101-129,146-149,227-230,232H,1,12,24-31,34,37-80,83-86,183H2,2-11,13-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146+,147-,148-,149-,179-,180+,181+,182-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 139n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023625
PNG
(CHEMBL3341845)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C169H266N42O54/c1-21-83(11)135(161(261)193-102(39-49-133(236)237)145(245)189-101(38-48-132(234)235)148(248)203-113(74-212)158(258)192-97(34-44-122(174)221)146(246)200-111(69-125(177)224)152(252)190-96(33-43-121(173)220)142(242)185-94(31-41-119(171)218)140(240)187-98(35-45-129(228)229)143(243)184-93(25-23-24-59-170)139(239)199-110(68-124(176)223)153(253)191-99(36-46-130(230)231)144(244)186-95(32-42-120(172)219)141(241)188-100(37-47-131(232)233)147(247)195-104(62-80(5)6)149(249)194-103(138(179)238)61-79(3)4)206-155(255)105(63-81(7)8)196-159(259)114(75-213)204-150(250)108(66-89-71-180-78-182-89)202-162(262)136(84(12)22-2)207-156(256)106(64-82(9)10)197-160(260)115(76-214)205-163(263)137(87(15)215)208-157(257)107(65-88-26-28-91(216)29-27-88)198-154(254)112(70-126(178)225)201-151(251)109(67-123(175)222)183-127(226)53-60-181-128(227)73-211-72-90(209-210-211)77-265-164(264)169-56-50-85(13)86(14)134(169)92-30-40-117-166(18)54-52-118(217)165(16,17)116(166)51-55-168(117,20)167(92,19)57-58-169/h26-30,71-72,78-87,93-118,134-137,212-217H,21-25,31-70,73-77,170H2,1-20H3,(H2,171,218)(H2,172,219)(H2,173,220)(H2,174,221)(H2,175,222)(H2,176,223)(H2,177,224)(H2,178,225)(H2,179,238)(H,180,182)(H,181,227)(H,183,226)(H,184,243)(H,185,242)(H,186,244)(H,187,240)(H,188,241)(H,189,245)(H,190,252)(H,191,253)(H,192,258)(H,193,261)(H,194,249)(H,195,247)(H,196,259)(H,197,260)(H,198,254)(H,199,239)(H,200,246)(H,201,251)(H,202,262)(H,203,248)(H,204,250)(H,205,263)(H,206,255)(H,207,256)(H,208,257)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)/t83-,84-,85+,86-,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,134-,135-,136-,137-,166-,167+,168+,169-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 145n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023624
PNG
(CHEMBL3341846)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(COC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C169H266N42O54/c1-21-84(11)134(160(261)193-102(39-49-133(236)237)144(245)189-101(38-48-132(234)235)147(248)203-113(75-212)157(258)192-97(34-44-122(174)221)145(246)200-111(69-125(177)224)151(252)190-96(33-43-121(173)220)141(242)185-94(31-41-119(171)218)139(240)187-98(35-45-129(228)229)142(243)184-93(25-23-24-59-170)138(239)199-110(68-124(176)223)152(253)191-99(36-46-130(230)231)143(244)186-95(32-42-120(172)219)140(241)188-100(37-47-131(232)233)146(247)195-104(62-81(5)6)148(249)194-103(137(179)238)61-80(3)4)206-154(255)105(63-82(7)8)196-158(259)114(76-213)204-149(250)108(66-88-72-180-79-182-88)202-161(262)135(85(12)22-2)207-155(256)106(64-83(9)10)197-159(260)115(77-214)205-162(263)136(86(13)215)208-156(257)107(65-87-26-28-90(216)29-27-87)198-153(254)112(70-126(178)225)201-150(251)109(67-123(175)222)183-127(226)52-60-181-128(227)74-211-73-89(209-210-211)78-265-163(264)169-57-55-164(14,15)71-92(169)91-30-40-117-166(18)53-51-118(217)165(16,17)116(166)50-54-168(117,20)167(91,19)56-58-169/h26-30,72-73,79-86,92-118,134-136,212-217H,21-25,31-71,74-78,170H2,1-20H3,(H2,171,218)(H2,172,219)(H2,173,220)(H2,174,221)(H2,175,222)(H2,176,223)(H2,177,224)(H2,178,225)(H2,179,238)(H,180,182)(H,181,227)(H,183,226)(H,184,243)(H,185,242)(H,186,244)(H,187,240)(H,188,241)(H,189,245)(H,190,252)(H,191,253)(H,192,258)(H,193,261)(H,194,249)(H,195,247)(H,196,259)(H,197,260)(H,198,254)(H,199,239)(H,200,246)(H,201,251)(H,202,262)(H,203,248)(H,204,250)(H,205,263)(H,206,255)(H,207,256)(H,208,257)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)/t84-,85-,86+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,134-,135-,136-,166-,167+,168+,169-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 176n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023620
PNG
(CHEMBL3341850)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C(C)=C)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C174H272N42O55/c1-22-65-270-169(269)174-60-54-95(87(12)13)139(174)96-33-43-121-171(19)58-56-122(170(17,18)120(171)55-59-173(121,21)172(96,20)61-62-174)271-138(242)53-30-92-77-216(215-214-92)78-132(231)186-64-57-131(230)188-113(72-127(180)226)156(256)206-116(75-130(183)229)159(259)203-111(70-91-28-31-94(221)32-29-91)162(262)213-142(90(16)220)168(268)210-119(81-219)165(265)202-110(69-86(10)11)161(261)212-141(89(15)24-3)167(267)207-112(71-93-76-185-82-187-93)155(255)209-118(80-218)164(264)201-109(68-85(8)9)160(260)211-140(88(14)23-2)166(266)198-106(42-52-137(240)241)150(250)194-105(41-51-136(238)239)153(253)208-117(79-217)163(263)197-101(37-47-126(179)225)151(251)205-115(74-129(182)228)157(257)195-100(36-46-125(178)224)147(247)190-98(34-44-123(176)222)145(245)192-102(38-48-133(232)233)148(248)189-97(27-25-26-63-175)144(244)204-114(73-128(181)227)158(258)196-103(39-49-134(234)235)149(249)191-99(35-45-124(177)223)146(246)193-104(40-50-135(236)237)152(252)200-108(67-84(6)7)154(254)199-107(143(184)243)66-83(4)5/h22,28-29,31-32,76-77,82-86,88-90,95-122,139-142,217-221H,1,12,23-27,30,33-75,78-81,175H2,2-11,13-21H3,(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,227)(H2,182,228)(H2,183,229)(H2,184,243)(H,185,187)(H,186,231)(H,188,230)(H,189,248)(H,190,247)(H,191,249)(H,192,245)(H,193,246)(H,194,250)(H,195,257)(H,196,258)(H,197,263)(H,198,266)(H,199,254)(H,200,252)(H,201,264)(H,202,265)(H,203,259)(H,204,244)(H,205,251)(H,206,256)(H,207,267)(H,208,253)(H,209,255)(H,210,268)(H,211,260)(H,212,261)(H,213,262)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)/t88-,89-,90+,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,139+,140-,141-,142-,171-,172+,173+,174-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 197n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023619
PNG
(CHEMBL3341851)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-22-85(13)137(163(263)195-104(40-50-135(238)239)147(247)191-103(39-49-134(236)237)150(250)205-115(75-214)160(260)194-99(35-45-124(176)223)148(248)202-113(70-127(179)226)154(254)192-98(34-44-123(175)222)144(244)187-96(32-42-121(173)220)142(242)189-100(36-46-131(230)231)145(245)186-95(26-24-25-60-172)141(241)201-112(69-126(178)225)155(255)193-101(37-47-132(232)233)146(246)188-97(33-43-122(174)221)143(243)190-102(38-48-133(234)235)149(249)197-106(63-81(5)6)151(251)196-105(140(181)240)62-80(3)4)208-157(257)107(64-82(7)8)198-161(261)116(76-215)206-152(252)110(67-90-72-182-79-184-90)204-164(264)138(86(14)23-2)209-158(258)108(65-83(9)10)199-162(262)117(77-216)207-165(265)139(87(15)217)210-159(259)109(66-89-27-29-92(219)30-28-89)200-156(256)114(71-128(180)227)203-153(253)111(68-125(177)224)185-129(228)54-61-183-130(229)74-213-73-91(211-212-213)78-267-166(266)171-57-51-93(84(11)12)136(171)94-31-41-119-168(19)55-53-120(268-88(16)218)167(17,18)118(168)52-56-170(119,21)169(94,20)58-59-171/h27-30,72-73,79-83,85-87,93-120,136-139,214-217,219H,11,22-26,31-71,74-78,172H2,1-10,12-21H3,(H2,173,220)(H2,174,221)(H2,175,222)(H2,176,223)(H2,177,224)(H2,178,225)(H2,179,226)(H2,180,227)(H2,181,240)(H,182,184)(H,183,229)(H,185,228)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)/t85-,86-,87+,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,136+,137-,138-,139-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 327n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023615
PNG
(CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,166-,167-,168-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 542n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023611
PNG
(CHEMBL2380932)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C186H283N51O64S/c1-18-88(12)148(182(298)218-113(47-58-145(262)263)160(276)211-112(46-57-144(260)261)164(280)231-129(80-238)179(295)216-107(41-52-135(191)247)161(277)226-125(73-137(193)249)171(287)214-106(40-51-134(190)246)157(273)207-104(38-49-132(188)244)155(271)209-108(42-53-140(252)253)158(274)205-102(32-25-26-61-187)154(270)225-124(72-136(192)248)172(288)215-109(43-54-141(254)255)159(275)208-105(39-50-133(189)245)156(272)210-110(44-55-142(256)257)162(278)220-117(65-85(6)7)167(283)219-116(152(196)268)64-84(4)5)235-176(292)118(66-86(8)9)221-180(296)130(81-239)232-170(286)123(71-96-79-199-83-203-96)229-183(299)150(90(14)20-3)236-177(293)119(67-87(10)11)222-181(297)131(82-240)233-185(301)151(91(15)241)237-178(294)120(68-93-34-36-97(243)37-35-93)223-173(289)126(74-138(194)250)227-174(290)127(75-139(195)251)230-184(300)149(89(13)19-2)234-166(282)114(48-59-146(264)265)213-153(269)103(33-27-62-200-186(197)198)206-175(291)128(76-147(266)267)228-169(285)122(70-95-78-202-101-31-24-22-29-99(95)101)224-163(279)111(45-56-143(258)259)212-165(281)115(60-63-302-17)217-168(284)121(204-92(16)242)69-94-77-201-100-30-23-21-28-98(94)100/h21-24,28-31,34-37,77-79,83-91,102-131,148-151,201-202,238-241,243H,18-20,25-27,32-33,38-76,80-82,187H2,1-17H3,(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,268)(H,199,203)(H,204,242)(H,205,274)(H,206,291)(H,207,273)(H,208,275)(H,209,271)(H,210,272)(H,211,276)(H,212,281)(H,213,269)(H,214,287)(H,215,288)(H,216,295)(H,217,284)(H,218,298)(H,219,283)(H,220,278)(H,221,296)(H,222,297)(H,223,289)(H,224,279)(H,225,270)(H,226,277)(H,227,290)(H,228,285)(H,229,299)(H,230,300)(H,231,280)(H,232,286)(H,233,301)(H,234,282)(H,235,292)(H,236,293)(H,237,294)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,200)/t88-,89-,90-,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,148-,149-,150-,151-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023616
PNG
(CHEMBL3341860)
Show SMILES CCCc1cn(CC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O)nn1
Show InChI InChI=1/C149H238N44O53/c1-16-23-78-63-193(192-191-78)64-114(209)161-50-22-20-24-81(123(159)220)165-113(208)48-51-162-124(221)92(52-69(4)5)176-135(232)93(53-70(6)7)177-133(230)89(36-45-117(214)215)170-127(224)84(31-40-106(152)201)168-130(227)88(35-44-116(212)213)173-139(236)99(59-110(156)205)181-125(222)82(25-19-21-49-150)166-129(226)87(34-43-115(210)211)169-126(223)83(30-39-105(151)200)167-128(225)85(32-41-107(153)202)172-138(235)100(60-111(157)206)182-132(229)86(33-42-108(154)203)174-144(241)102(65-194)185-134(231)90(37-46-118(216)217)171-131(228)91(38-47-119(218)219)175-147(244)120(73(12)17-2)188-141(238)94(54-71(8)9)178-145(242)103(66-195)186-136(233)97(57-79-62-160-68-163-79)184-148(245)121(74(13)18-3)189-142(239)95(55-72(10)11)179-146(243)104(67-196)187-149(246)122(75(14)197)190-143(240)96(56-77-26-28-80(199)29-27-77)180-140(237)101(61-112(158)207)183-137(234)98(58-109(155)204)164-76(15)198/h26-29,62-63,68-75,81-104,120-122,194-197,199H,16-25,30-61,64-67,150H2,1-15H3,(H2,151,200)(H2,152,201)(H2,153,202)(H2,154,203)(H2,155,204)(H2,156,205)(H2,157,206)(H2,158,207)(H2,159,220)(H,160,163)(H,161,209)(H,162,221)(H,164,198)(H,165,208)(H,166,226)(H,167,225)(H,168,227)(H,169,223)(H,170,224)(H,171,228)(H,172,235)(H,173,236)(H,174,241)(H,175,244)(H,176,232)(H,177,230)(H,178,242)(H,179,243)(H,180,237)(H,181,222)(H,182,229)(H,183,234)(H,184,245)(H,185,231)(H,186,233)(H,187,246)(H,188,238)(H,189,239)(H,190,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)/t73-,74-,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,120-,121-,122-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.18E+3n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023618
PNG
(CHEMBL3341858)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C133H212N38O50/c1-15-62(11)105(169-125(213)81(45-60(7)8)159-129(217)90(55-173)167-120(208)84(48-67-53-144-57-145-67)165-132(220)106(63(12)16-2)170-126(214)82(46-61(9)10)160-130(218)91(56-174)168-133(221)107(64(13)175)171-127(215)83(47-66-20-22-68(177)23-21-66)161-124(212)88(52-99(142)185)164-121(209)85(49-96(139)182)146-65(14)176)131(219)156-78(32-41-104(194)195)115(203)152-77(31-40-103(192)193)118(206)166-89(54-172)128(216)155-73(27-36-95(138)181)116(204)163-87(51-98(141)184)122(210)153-72(26-35-94(137)180)112(200)148-70(24-33-92(135)178)110(198)150-74(28-37-100(186)187)113(201)147-69(19-17-18-42-134)109(197)162-86(50-97(140)183)123(211)154-75(29-38-101(188)189)114(202)149-71(25-34-93(136)179)111(199)151-76(30-39-102(190)191)117(205)158-80(44-59(5)6)119(207)157-79(108(143)196)43-58(3)4/h20-23,53,57-64,69-91,105-107,172-175,177H,15-19,24-52,54-56,134H2,1-14H3,(H2,135,178)(H2,136,179)(H2,137,180)(H2,138,181)(H2,139,182)(H2,140,183)(H2,141,184)(H2,142,185)(H2,143,196)(H,144,145)(H,146,176)(H,147,201)(H,148,200)(H,149,202)(H,150,198)(H,151,199)(H,152,203)(H,153,210)(H,154,211)(H,155,216)(H,156,219)(H,157,207)(H,158,205)(H,159,217)(H,160,218)(H,161,212)(H,162,197)(H,163,204)(H,164,209)(H,165,220)(H,166,206)(H,167,208)(H,168,221)(H,169,213)(H,170,214)(H,171,215)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,194,195)/t62-,63-,64+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,105-,106-,107-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.24E+3n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023617
PNG
(CHEMBL3341859)
Show SMILES CCCc1cn(CC(=O)NCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nn1
Show InChI InChI=1/C141H224N42O51/c1-15-20-72-58-183(182-181-72)59-107(198)153-46-44-106(197)155-91(53-102(147)193)129(222)173-94(56-105(150)196)132(225)170-89(51-71-22-24-74(188)25-23-71)135(228)180-115(70(14)187)141(234)177-97(62-186)138(231)169-88(50-67(10)11)134(227)179-114(69(13)17-3)140(233)174-90(52-73-57-152-63-154-73)128(221)176-96(61-185)137(230)168-87(49-66(8)9)133(226)178-113(68(12)16-2)139(232)165-84(34-43-112(207)208)123(216)161-83(33-42-111(205)206)126(219)175-95(60-184)136(229)164-79(29-38-101(146)192)124(217)172-93(55-104(149)195)130(223)162-78(28-37-100(145)191)120(213)157-76(26-35-98(143)189)118(211)159-80(30-39-108(199)200)121(214)156-75(21-18-19-45-142)117(210)171-92(54-103(148)194)131(224)163-81(31-40-109(201)202)122(215)158-77(27-36-99(144)190)119(212)160-82(32-41-110(203)204)125(218)167-86(48-65(6)7)127(220)166-85(116(151)209)47-64(4)5/h22-25,57-58,63-70,75-97,113-115,184-188H,15-21,26-56,59-62,142H2,1-14H3,(H2,143,189)(H2,144,190)(H2,145,191)(H2,146,192)(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,196)(H2,151,209)(H,152,154)(H,153,198)(H,155,197)(H,156,214)(H,157,213)(H,158,215)(H,159,211)(H,160,212)(H,161,216)(H,162,223)(H,163,224)(H,164,229)(H,165,232)(H,166,220)(H,167,218)(H,168,230)(H,169,231)(H,170,225)(H,171,210)(H,172,217)(H,173,222)(H,174,233)(H,175,219)(H,176,221)(H,177,234)(H,178,226)(H,179,227)(H,180,228)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)/t68-,69-,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,113-,114-,115-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.58E+3n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023623
PNG
(CHEMBL3341847)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C171H268N42O55/c1-21-85(13)137(163(263)195-103(40-50-134(237)238)147(247)191-102(39-49-133(235)236)150(250)205-114(76-214)160(260)194-98(35-45-123(176)222)148(248)202-112(71-126(179)225)154(254)192-97(34-44-122(175)221)144(244)187-95(32-42-120(173)219)142(242)189-99(36-46-130(229)230)145(245)186-94(25-23-24-61-172)141(241)201-111(70-125(178)224)155(255)193-100(37-47-131(231)232)146(246)188-96(33-43-121(174)220)143(243)190-101(38-48-132(233)234)149(249)197-105(64-81(5)6)151(251)196-104(140(181)240)63-80(3)4)208-157(257)106(65-82(7)8)198-161(261)115(77-215)206-152(252)109(68-90-73-182-79-184-90)204-164(264)138(86(14)22-2)209-158(258)107(66-83(9)10)199-162(262)116(78-216)207-165(265)139(87(15)217)210-159(259)108(67-88-26-29-91(218)30-27-88)200-156(256)113(72-127(180)226)203-153(253)110(69-124(177)223)185-128(227)55-62-183-129(228)75-213-74-89(211-212-213)28-51-135(239)268-119-54-56-168(18)117(167(119,16)17)53-57-170(20)118(168)41-31-93-136-92(84(11)12)52-58-171(136,166(266)267)60-59-169(93,170)19/h26-27,29-30,73-74,79-83,85-87,92-119,136-139,214-218H,11,21-25,28,31-72,75-78,172H2,1-10,12-20H3,(H2,173,219)(H2,174,220)(H2,175,221)(H2,176,222)(H2,177,223)(H2,178,224)(H2,179,225)(H2,180,226)(H2,181,240)(H,182,184)(H,183,228)(H,185,227)(H,186,245)(H,187,244)(H,188,246)(H,189,242)(H,190,243)(H,191,247)(H,192,254)(H,193,255)(H,194,260)(H,195,263)(H,196,251)(H,197,249)(H,198,261)(H,199,262)(H,200,256)(H,201,241)(H,202,248)(H,203,253)(H,204,264)(H,205,250)(H,206,252)(H,207,265)(H,208,257)(H,209,258)(H,210,259)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)/t85-,86-,87+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,136+,137-,138-,139-,168-,169+,170+,171-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...


J Med Chem 57: 7342-54 (2014)

More data for this
Ligand-Target Pair