Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'luczkowiak' and Initial = 'j'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase expressed in Escherichia coli using DNA complexes containing 32P-labeled INT1ST and and non-...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509061 (CHEMBL4554703) Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r| Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombina...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509063 (CHEMBL4515649) Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombina...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580861 (CHEMBL5079779) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509063 (CHEMBL4515649) Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521968 (CHEMBL4452475) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1=O Show InChI InChI=1S/C18H13N3O5S/c22-17-15-10-13(6-8-16(15)19-18(23)21(17)24)20-27(25,26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank 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
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580864 (CHEMBL5077032) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(cc2sc2cc(cc(sc4cc(cc(sc5cc(cc(s3)c5OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn3)C(C)(C)C)c4OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn3)C(C)(C)C)c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509061 (CHEMBL4554703) Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r| Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	634	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580861 (CHEMBL5079779) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	777	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombina...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50521968 (CHEMBL4452475) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1=O Show InChI InChI=1S/C18H13N3O5S/c22-17-15-10-13(6-8-16(15)19-18(23)21(17)24)20-27(25,26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20,24H,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase expressed in Escherichia coli using DNA complexes containing 32P-labeled INT1ST and and non-...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580864 (CHEMBL5077032) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(cc2sc2cc(cc(sc4cc(cc(sc5cc(cc(s3)c5OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn3)C(C)(C)C)c4OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn3)C(C)(C)C)c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombina...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521975 (CHEMBL4452099) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c1=O Show InChI InChI=1S/C14H11N3O5S/c18-13-11-8-9(6-7-12(11)15-14(19)17(13)20)16-23(21,22)10-4-2-1-3-5-10/h1-8,16,20H,(H,15,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521979 (CHEMBL4577620) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2c1=O Show InChI InChI=1S/C15H10F3N3O5S/c16-15(17,18)8-2-1-3-10(6-8)27(25,26)20-9-4-5-12-11(7-9)13(22)21(24)14(23)19-12/h1-7,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521967 (CHEMBL4462038) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1=O Show InChI InChI=1S/C14H10FN3O5S/c15-8-1-4-10(5-2-8)24(22,23)17-9-3-6-12-11(7-9)13(19)18(21)14(20)16-12/h1-7,17,21H,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521976 (CHEMBL4546044) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccccc3)ccc2c1=O Show InChI InChI=1S/C15H11N3O4/c19-13(9-4-2-1-3-5-9)16-10-6-7-11-12(8-10)17-15(21)18(22)14(11)20/h1-8,22H,(H,16,19)(H,17,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521970 (CHEMBL4593526) Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C16H13N3O4/c1-9-2-4-10(5-3-9)14(20)17-11-6-7-12-13(8-11)18-16(22)19(23)15(12)21/h2-8,23H,1H3,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521977 (CHEMBL4439898) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C17H17N3O5S/c1-9-6-10(2)15(11(3)7-9)26(24,25)19-12-4-5-13-14(8-12)18-17(22)20(23)16(13)21/h4-8,19,23H,1-3H3,(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521982 (CHEMBL4476571) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3cccc(F)c3)ccc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-9-3-1-2-8(6-9)13(20)17-10-4-5-11-12(7-10)18-15(22)19(23)14(11)21/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521969 (CHEMBL4529338) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccc(F)cc3)ccc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-9-3-1-8(2-4-9)13(20)17-10-5-6-11-12(7-10)18-15(22)19(23)14(11)21/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521980 (CHEMBL4434795) Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C15H13N3O5S/c1-9-3-2-4-11(7-9)24(22,23)17-10-5-6-12-13(8-10)16-15(20)18(21)14(12)19/h2-8,17,21H,1H3,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521974 (CHEMBL4554606) Show SMILES On1c(=O)[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-11-4-2-1-3-9(11)13(20)17-8-5-6-12-10(7-8)14(21)19(23)15(22)18-12/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521981 (CHEMBL4455408) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2c1=O Show InChI InChI=1S/C15H10F3N3O5S/c16-15(17,18)8-2-1-3-10(6-8)27(25,26)20-9-4-5-11-12(7-9)19-14(23)21(24)13(11)22/h1-7,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521973 (CHEMBL4440843) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2c1=O Show InChI InChI=1S/C14H10FN3O5S/c15-8-1-4-10(5-2-8)24(22,23)17-9-3-6-11-12(7-9)16-14(20)18(21)13(11)19/h1-7,17,21H,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521972 (CHEMBL4557712) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C18H19N3O5S/c1-18(2,3)11-4-7-13(8-5-11)27(25,26)20-12-6-9-14-15(10-12)19-17(23)21(24)16(14)22/h4-10,20,24H,1-3H3,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521966 (CHEMBL4470804) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2c1=O Show InChI InChI=1S/C16H10F3N3O4/c17-16(18,19)9-3-1-8(2-4-9)13(23)20-10-5-6-11-12(7-10)21-15(25)22(26)14(11)24/h1-7,26H,(H,20,23)(H,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521978 (CHEMBL4570054) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2c1=O Show InChI InChI=1S/C20H15N3O5S/c24-19-17-11-8-15(12-18(17)21-20(25)23(19)26)22-29(27,28)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,22,26H,(H,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580862 (CHEMBL5080461) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(cc2sc2cc(cc(sc4cc(cc(sc5cc(cc(s3)c5OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn5cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn5)nn3)C(C)(C)C)c4OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn3)C(C)(C)C)c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580864 (CHEMBL5077032) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(cc2sc2cc(cc(sc4cc(cc(sc5cc(cc(s3)c5OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn3)C(C)(C)C)c4OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn3)C(C)(C)C)c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521971 (CHEMBL4437234) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2c1=O Show InChI InChI=1S/C18H13N3O5S/c22-17-15-8-6-13(10-16(15)19-18(23)21(17)24)20-27(25,26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580861 (CHEMBL5079779) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509063 (CHEMBL4515649) Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50509061 (CHEMBL4554703) Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r| Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580863 (CHEMBL5070715) Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50580865 (CHEBI:42548 | CHEMBL1232862) Show SMILES C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.48E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-type lectin domain family 4 member M (Homo sapiens)	BDBM50467903 (CHEBI:28729 | CHEMBL365590) Show SMILES OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.39E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00818 BindingDB Entry DOI: 10.7270/Q2474FR1
					More data for this Ligand-Target Pair				3D Structure (crystal)