Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'beutler' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3 (Homo sapiens (Human))	BDBM50368315 (PROSTRATIN) Show SMILES C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18| Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17?,20-,21+,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute (NCI) Curated by ChEMBL					Assay Description Displacement of [3H]PDBu binding to Protein kinase C of CEM cells with 10% fetal calf serum				J Med Chem 35: 1978-86 (1992) BindingDB Entry DOI: 10.7270/Q22Z17SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3 (Homo sapiens (Human))	BDBM50368315 (PROSTRATIN) Show SMILES C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18| Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17?,20-,21+,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute (NCI) Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from Protein kinase C of CEM cells				J Med Chem 35: 1978-86 (1992) BindingDB Entry DOI: 10.7270/Q22Z17SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494419 (Tetrahydrobungeanool) Show SMILES CCCCCCCCC\C=C\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482161 (CHEMBL1082256) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C122H212N52O23/c1-12-67(9)93(112(196)154-62-92(178)157-74(34-21-47-146-115(128)129)96(180)159-76(36-23-49-148-117(132)133)98(182)161-78(38-25-51-150-119(136)137)100(184)163-80(40-27-53-152-121(140)141)102(186)164-79(39-26-52-151-120(138)139)101(185)162-77(37-24-50-149-118(134)135)99(183)160-75(35-22-48-147-116(130)131)97(181)158-73(95(125)179)33-20-46-145-114(126)127)173-105(189)81(41-28-54-153-122(142)143)165-109(193)87(58-70-29-16-14-17-30-70)170-110(194)89(60-72-61-144-63-155-72)172-113(197)94(68(10)13-2)174-111(195)88(59-71-31-18-15-19-32-71)171-108(192)86(57-66(7)8)169-107(191)85(56-65(5)6)168-104(188)83(43-45-91(124)177)166-103(187)82(42-44-90(123)176)167-106(190)84(55-64(3)4)156-69(11)175/h14-19,29-32,61,63-68,73-89,93-94H,12-13,20-28,33-60,62H2,1-11H3,(H2,123,176)(H2,124,177)(H2,125,179)(H,144,155)(H,154,196)(H,156,175)(H,157,178)(H,158,181)(H,159,180)(H,160,183)(H,161,182)(H,162,185)(H,163,184)(H,164,186)(H,165,193)(H,166,187)(H,167,190)(H,168,188)(H,169,191)(H,170,194)(H,171,192)(H,172,197)(H,173,189)(H,174,195)(H4,126,127,145)(H4,128,129,146)(H4,130,131,147)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482161 (CHEMBL1082256) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C122H212N52O23/c1-12-67(9)93(112(196)154-62-92(178)157-74(34-21-47-146-115(128)129)96(180)159-76(36-23-49-148-117(132)133)98(182)161-78(38-25-51-150-119(136)137)100(184)163-80(40-27-53-152-121(140)141)102(186)164-79(39-26-52-151-120(138)139)101(185)162-77(37-24-50-149-118(134)135)99(183)160-75(35-22-48-147-116(130)131)97(181)158-73(95(125)179)33-20-46-145-114(126)127)173-105(189)81(41-28-54-153-122(142)143)165-109(193)87(58-70-29-16-14-17-30-70)170-110(194)89(60-72-61-144-63-155-72)172-113(197)94(68(10)13-2)174-111(195)88(59-71-31-18-15-19-32-71)171-108(192)86(57-66(7)8)169-107(191)85(56-65(5)6)168-104(188)83(43-45-91(124)177)166-103(187)82(42-44-90(123)176)167-106(190)84(55-64(3)4)156-69(11)175/h14-19,29-32,61,63-68,73-89,93-94H,12-13,20-28,33-60,62H2,1-11H3,(H2,123,176)(H2,124,177)(H2,125,179)(H,144,155)(H,154,196)(H,156,175)(H,157,178)(H,158,181)(H,159,180)(H,160,183)(H,161,182)(H,162,185)(H,163,184)(H,164,186)(H,165,193)(H,166,187)(H,167,190)(H,168,188)(H,169,191)(H,170,194)(H,171,192)(H,172,197)(H,173,189)(H,174,195)(H4,126,127,145)(H4,128,129,146)(H4,130,131,147)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50494416 (CHEMBL2335715 | Hydroxy-Beta-Sanshool) Show SMILES C\C=C\C=C\C=C\CC\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-Win55212-2 from human CB1 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after ...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Rattus norvegicus)	BDBM50478518 (CHEMBL514017) Show SMILES [H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@@H](C)C[C@@]1(OC(=O)C\C=C\C=C\CCCC)C2(C)C |r,c:14,t:4| Show InChI InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-24(32)36-29-16-20(3)30(35)22(25(29)27(29,4)5)15-21(18-31)17-28(34)23(30)14-19(2)26(28)33/h9-12,14-15,20,22-23,25,31,34-35H,6-8,13,16-18H2,1-5H3/b10-9+,12-11+/t20-,22-,23+,25+,28+,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from rat brain membrane PKC				J Nat Prod 58: 769-72 (1995) Article DOI: 10.1021/np50119a020 BindingDB Entry DOI: 10.7270/Q2NZ8BF5
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50295171 (AILANTHINONE | CHEMBL487194) Show SMILES CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:12:11:18:16.15,10:9:18:16.15,7:8:18:16.15| Show InChI InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h10-13,15-18,22,27,31H,6-9H2,1-5H3/t10?,11?,12-,13+,15-,16-,17-,18-,22-,23-,24+,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50349194 (GLAUCARUBINONE | NSC-14975) Show SMILES CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:11:10:19:17.16,8:9:19:17.16,13:12:19:17.16| Show InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h10-12,14-17,20,27,31-32H,6-9H2,1-5H3/t10?,11-,12+,14-,15-,16-,17-,20-,22+,23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50494422 (CHEMBL3086847) Show SMILES C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)(O)CO Show InChI InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-9-10-11-12-15(19)17-13-16(2,20)14-18/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3,(H,17,19)/b4-3+,6-5+,8-7-,12-11+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-Win55212-2 from human CB1 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after ...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318477 (CHEMBL1084610 | Hydroxy-alpha-sanshool) Show SMILES C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50295170 (6R-senecionylchaparrin | CHEMBL564009) Show SMILES [#6]-[#6@H]-1-[#6@@H](-[#8])[C@@]2([#8])[#8]-[#6][C@]34[#6@H]2[C@@]2([#6])[#6@H](-[#8])-[#6@@H](-[#8])-[#6]=[#6](-[#6])-[#6@@H]2-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]3-[#8]-[#6](=O)-[#6]-[#6@@H]-14 |r,t:17,TLB:3:2:9:6.7,0:1:9:6.7,32:33:9:6.7| Show InChI InChI=1S/C25H34O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-14,17-22,26,29-31H,8-9H2,1-5H3/t12-,13+,14+,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50494417 (CHEMBL3086844) Show SMILES C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C Show InChI InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-Win55212-2 from human CB1 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after ...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494416 (CHEMBL2335715 | Hydroxy-Beta-Sanshool) Show SMILES C\C=C\C=C\C=C\CC\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494422 (CHEMBL3086847) Show SMILES C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)(O)CO Show InChI InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-9-10-11-12-15(19)17-13-16(2,20)14-18/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3,(H,17,19)/b4-3+,6-5+,8-7-,12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50494421 (CHEBI:81359 | CHEMBL3086846) Show SMILES C\C=C\C=C\C=C/CC\C=C\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-Win55212-2 from human CB1 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after ...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494421 (CHEBI:81359 | CHEMBL3086846) Show SMILES C\C=C\C=C\C=C/CC\C=C\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494420 (CHEMBL3086845) Show SMILES C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O Show InChI InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484003 (CHEMBL1802249) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)CC |r| Show InChI InChI=1S/C17H24O6S/c1-4-24(22,23)9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 2)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of HIV-2 reverse transcriptase				Antimicrob Agents Chemother 54: 3913-21 (2010) Article DOI: 10.1128/AAC.00434-10 BindingDB Entry DOI: 10.7270/Q2JW8F56
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492114 (CHEMBL2397283) Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H12N2O3S/c1-6-7(2)20-14-11(6)13(19)15-12(16-14)8-3-4-9(17)10(18)5-8/h3-5,17-18H,1-2H3,(H,15,16,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492104 (CHEMBL2397405) Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C18H18N2O3S/c21-12-8-7-10(9-13(12)22)16-19-17(23)15-11-5-3-1-2-4-6-14(11)24-18(15)20-16/h7-9,21-22H,1-6H2,(H,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus-1 reverse transcriptase associated RNase H activity using using 18-nucleotide 3,-fluorescein-labeled RNA s...				J Nat Prod 78: 315-9 (2015) Article DOI: 10.1021/np5006696 BindingDB Entry DOI: 10.7270/Q218386T
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492105 (CHEMBL2397404) Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C17H16N2O3S/c20-11-7-6-9(8-12(11)21)15-18-16(22)14-10-4-2-1-3-5-13(10)23-17(14)19-15/h6-8,20-21H,1-5H2,(H,18,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492128 (CHEMBL2397402) Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C15H12N2O3S/c18-9-5-4-7(6-10(9)19)13-16-14(20)12-8-2-1-3-11(8)21-15(12)17-13/h4-6,18-19H,1-3H2,(H,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492132 (CHEMBL2397403) Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O3S/c19-10-6-5-8(7-11(10)20)14-17-15(21)13-9-3-1-2-4-12(9)22-16(13)18-14/h5-7,19-20H,1-4H2,(H,17,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484009 (CHEMBL1802246) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCC |r| Show InChI InChI=1S/C17H24O4S/c1-4-22-9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480466 (CHEMBL541369) Show SMILES COc1c2CCc3cc4cnn(-c5ccccc5)c(=O)c4c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12 Show InChI InChI=1S/C32H22N2O8/c1-13-19(35)11-18-23(26(13)36)30(40)25-24(27(18)37)29(39)22-17(31(25)42-2)9-8-14-10-15-12-33-34(16-6-4-3-5-7-16)32(41)21(15)28(38)20(14)22/h3-7,10-12,35-36,38-39H,8-9H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase by electrochemiluminescent-based high-throughput strand transfer assay				Antimicrob Agents Chemother 52: 361-4 (2008) Article DOI: 10.1128/aac.00883-07 BindingDB Entry DOI: 10.7270/Q2C2507R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492120 (CHEMBL2397400) Show SMILES CCCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H18N2O3S/c1-3-4-5-11-9(2)23-17-14(11)16(22)18-15(19-17)10-6-7-12(20)13(21)8-10/h6-8,20-21H,3-5H2,1-2H3,(H,18,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492129 (CHEMBL2397393) Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H13N3OS/c1-8-9(2)21-16-13(8)15(20)18-14(19-16)12-7-10-5-3-4-6-11(10)17-12/h3-7,17H,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492107 (CHEMBL2397399) Show SMILES CCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C16H16N2O3S/c1-3-4-10-8(2)22-16-13(10)15(21)17-14(18-16)9-5-6-11(19)12(20)7-9/h5-7,19-20H,3-4H2,1-2H3,(H,17,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482161 (CHEMBL1082256) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C122H212N52O23/c1-12-67(9)93(112(196)154-62-92(178)157-74(34-21-47-146-115(128)129)96(180)159-76(36-23-49-148-117(132)133)98(182)161-78(38-25-51-150-119(136)137)100(184)163-80(40-27-53-152-121(140)141)102(186)164-79(39-26-52-151-120(138)139)101(185)162-77(37-24-50-149-118(134)135)99(183)160-75(35-22-48-147-116(130)131)97(181)158-73(95(125)179)33-20-46-145-114(126)127)173-105(189)81(41-28-54-153-122(142)143)165-109(193)87(58-70-29-16-14-17-30-70)170-110(194)89(60-72-61-144-63-155-72)172-113(197)94(68(10)13-2)174-111(195)88(59-71-31-18-15-19-32-71)171-108(192)86(57-66(7)8)169-107(191)85(56-65(5)6)168-104(188)83(43-45-91(124)177)166-103(187)82(42-44-90(123)176)167-106(190)84(55-64(3)4)156-69(11)175/h14-19,29-32,61,63-68,73-89,93-94H,12-13,20-28,33-60,62H2,1-11H3,(H2,123,176)(H2,124,177)(H2,125,179)(H,144,155)(H,154,196)(H,156,175)(H,157,178)(H,158,181)(H,159,180)(H,160,183)(H,161,182)(H,162,185)(H,163,184)(H,164,186)(H,165,193)(H,166,187)(H,167,190)(H,168,188)(H,169,191)(H,170,194)(H,171,192)(H,172,197)(H,173,189)(H,174,195)(H4,126,127,145)(H4,128,129,146)(H4,130,131,147)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase-associated ribonuclease H activity by fluorescence assay				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase-associated ribonuclease H activity by fluorescence assay				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484014 (CHEMBL1802034) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN(CC)CC |r| Show InChI InChI=1S/C19H29NO4/c1-5-20(6-2)11-19(4,24)13-7-8-14-15(10-13)12(3)9-16(21)18(23)17(14)22/h9,13,24H,5-8,10-11H2,1-4H3,(H2,21,22,23)/t13-,19?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484004 (CHEMBL1802251) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H24O6S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-28(26,27)15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492106 (CHEMBL2397401) Show SMILES CCCc1c(CC)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H18N2O3S/c1-3-5-10-13(4-2)23-17-14(10)16(22)18-15(19-17)9-6-7-11(20)12(21)8-9/h6-8,20-21H,3-5H2,1-2H3,(H,18,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484017 (CHEMBL1802031) Show SMILES CC(=C)[C@H]1CCc2c(C1)c(C)cc(O)c(=O)c2O |r| Show InChI InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494417 (CHEMBL3086844) Show SMILES C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C Show InChI InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 h...				J Nat Prod 76: 2060-4 (2013) Article DOI: 10.1021/np400478c BindingDB Entry DOI: 10.7270/Q2WS8X6H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484015 (CHEMBL1802253) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)O |r| Show InChI InChI=1S/C14H18O4/c1-7-5-12(16)14(18)13(17)10-4-3-9(8(2)15)6-11(7)10/h5,8-9,15H,3-4,6H2,1-2H3,(H2,16,17,18)/t8?,9-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492134 (CHEMBL2397413) Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C14H12N2O4S/c1-5-6(2)21-14-10(5)13(20)15-12(16-14)7-3-8(17)11(19)9(18)4-7/h3-4,17-19H,1-2H3,(H,15,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482159 (CHEMBL1082255) Show SMILES [H][C@](NC(C)=O)([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C85H154N44O15/c1-6-45(3)62(129-72(140)58(30-19-39-114-85(103)104)126-73(141)59(40-48-20-9-8-10-21-48)127-74(142)60(41-49-42-105-44-116-49)128-76(144)63(46(4)7-2)117-47(5)130)75(143)115-43-61(131)118-51(23-12-32-107-78(89)90)65(133)120-53(25-14-34-109-80(93)94)67(135)122-55(27-16-36-111-82(97)98)69(137)124-57(29-18-38-113-84(101)102)71(139)125-56(28-17-37-112-83(99)100)70(138)123-54(26-15-35-110-81(95)96)68(136)121-52(24-13-33-108-79(91)92)66(134)119-50(64(86)132)22-11-31-106-77(87)88/h8-10,20-21,42,44-46,50-60,62-63H,6-7,11-19,22-41,43H2,1-5H3,(H2,86,132)(H,105,116)(H,115,143)(H,117,130)(H,118,131)(H,119,134)(H,120,133)(H,121,136)(H,122,135)(H,123,138)(H,124,137)(H,125,139)(H,126,141)(H,127,142)(H,128,144)(H,129,140)(H4,87,88,106)(H4,89,90,107)(H4,91,92,108)(H4,93,94,109)(H4,95,96,110)(H4,97,98,111)(H4,99,100,112)(H4,101,102,113)(H4,103,104,114)/t45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492125 (CHEMBL2397277) Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)cc1 Show InChI InChI=1S/C14H12N2O2S/c1-7-8(2)19-14-11(7)13(18)15-12(16-14)9-3-5-10(17)6-4-9/h3-6,17H,1-2H3,(H,15,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...				J Med Chem 56: 5436-45 (2013) Article DOI: 10.1021/jm400405z BindingDB Entry DOI: 10.7270/Q2B27Z7S
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Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484005 (CHEMBL1802032) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN1CCCCC1 |r| Show InChI InChI=1S/C20H29NO4/c1-13-10-17(22)19(24)18(23)15-7-6-14(11-16(13)15)20(2,25)12-21-8-4-3-5-9-21/h10,14,25H,3-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,20?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482159 (CHEMBL1082255) Show SMILES [H][C@](NC(C)=O)([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C85H154N44O15/c1-6-45(3)62(129-72(140)58(30-19-39-114-85(103)104)126-73(141)59(40-48-20-9-8-10-21-48)127-74(142)60(41-49-42-105-44-116-49)128-76(144)63(46(4)7-2)117-47(5)130)75(143)115-43-61(131)118-51(23-12-32-107-78(89)90)65(133)120-53(25-14-34-109-80(93)94)67(135)122-55(27-16-36-111-82(97)98)69(137)124-57(29-18-38-113-84(101)102)71(139)125-56(28-17-37-112-83(99)100)70(138)123-54(26-15-35-110-81(95)96)68(136)121-52(24-13-33-108-79(91)92)66(134)119-50(64(86)132)22-11-31-106-77(87)88/h8-10,20-21,42,44-46,50-60,62-63H,6-7,11-19,22-41,43H2,1-5H3,(H2,86,132)(H,105,116)(H,115,143)(H,117,130)(H,118,131)(H,119,134)(H,120,133)(H,121,136)(H,122,135)(H,123,138)(H,124,137)(H,125,139)(H,126,141)(H,127,142)(H,128,144)(H,129,140)(H4,87,88,106)(H4,89,90,107)(H4,91,92,108)(H4,93,94,109)(H4,95,96,110)(H4,97,98,111)(H4,99,100,112)(H4,101,102,113)(H4,103,104,114)/t45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Programmed cell death protein 4 (Homo sapiens (Human))	BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Stabilization of Pdcd4 expressed in human HEK293 cells assessed as inhibition of TPA-induced degradation by luciferase reporter assay				J Nat Prod 74: 1990-5 (2011) Article DOI: 10.1021/np200603g BindingDB Entry DOI: 10.7270/Q2HQ4092
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484006 (CHEMBL1802247) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSc1ccccc1 |r| Show InChI InChI=1S/C21H24O4S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-26-15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484012 (CHEMBL1802254) Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)NCc1ccccc1 |r| Show InChI InChI=1S/C21H25NO3/c1-13-10-19(23)21(25)20(24)17-9-8-16(11-18(13)17)14(2)22-12-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3,(H2,23,24,25)/t14?,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair

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