Compile Data Set for Download or QSAR

Found 520 hits with Last Name = 'dong' and Initial = 'b'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576898 (CHEMBL4877646) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576910 (CHEMBL4862758) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541871 (CHEMBL4640442) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOCC1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-22(2)20-31(39(34,35)25-11-9-24(36-3)10-12-25)21-27(32)26(19-23-7-5-4-6-8-23)29-28(33)38-18-15-30-13-16-37-17-14-30/h4-12,22,26-27,32H,13-21H2,1-3H3,(H,29,33)/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576913 (CHEMBL4868812) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCCNC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576900 (CHEMBL4852688) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576912 (CHEMBL4861507) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541883 (CHEMBL4643409) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H37N3O6S/c1-20(2)18-29(36(32,33)23-11-9-22(34-3)10-12-23)19-25(30)24(17-21-7-5-4-6-8-21)27-26(31)28-13-15-35-16-14-28/h4-12,20,24-25,30H,13-19H2,1-3H3,(H,27,31)/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576899 (CHEMBL4852584) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576914 (CHEMBL4866330) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576916 (CHEMBL4875282) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CCCNC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576911 (CHEMBL4863180) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576904 (CHEMBL4860352) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576907 (CHEMBL4877811) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCNCC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541873 (CHEMBL4645562) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H40N4O6S/c1-21(2)19-31(38(34,35)24-10-8-23(28)9-11-24)20-26(32)25(18-22-6-4-3-5-7-22)29-27(33)37-17-14-30-12-15-36-16-13-30/h3-11,21,25-26,32H,12-20,28H2,1-2H3,(H,29,33)/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576917 (CHEMBL4868304) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576915 (CHEMBL4858570) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCCNC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576905 (CHEMBL4850187) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541872 (CHEMBL4635435) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N3O6S/c1-21(2)19-34(41(37,38)24-10-8-23(9-11-24)28(29,30)31)20-26(35)25(18-22-6-4-3-5-7-22)32-27(36)40-17-14-33-12-15-39-16-13-33/h3-11,21,25-26,35H,12-20H2,1-2H3,(H,32,36)/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576918 (CHEMBL4877064) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CCCNC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576906 (CHEMBL4857293) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576908 (CHEMBL4860374) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCNCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541877 (CHEMBL4647025) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@@H](C)C1 |r| Show InChI InChI=1S/C28H41N3O6S/c1-21(2)17-31(38(34,35)25-12-10-24(36-4)11-13-25)19-27(32)26(16-23-8-6-5-7-9-23)29-28(33)20-30-14-15-37-22(3)18-30/h5-13,21-22,26-27,32H,14-20H2,1-4H3,(H,29,33)/t22-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576909 (CHEMBL4846696) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCNCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541885 (CHEMBL4637811) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H36N4O5S/c1-19(2)17-29(35(32,33)22-10-8-21(26)9-11-22)18-24(30)23(16-20-6-4-3-5-7-20)27-25(31)28-12-14-34-15-13-28/h3-11,19,23-24,30H,12-18,26H2,1-2H3,(H,27,31)/t23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541880 (CHEMBL4638254) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-21(2)18-30(37(33,34)24-11-9-23(35-3)10-12-24)19-26(31)25(17-22-7-5-4-6-8-22)28-27(32)20-29-13-15-36-16-14-29/h4-12,21,25-26,31H,13-20H2,1-3H3,(H,28,32)/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541882 (CHEMBL4634362) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C26H38N4O5S/c1-20(2)17-30(36(33,34)23-10-8-22(27)9-11-23)18-25(31)24(16-21-6-4-3-5-7-21)28-26(32)19-29-12-14-35-15-13-29/h3-11,20,24-25,31H,12-19,27H2,1-2H3,(H,28,32)/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541881 (CHEMBL4642888) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H36F3N3O5S/c1-20(2)17-33(39(36,37)23-10-8-22(9-11-23)27(28,29)30)18-25(34)24(16-21-6-4-3-5-7-21)31-26(35)19-32-12-14-38-15-13-32/h3-11,20,24-25,34H,12-19H2,1-2H3,(H,31,35)/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576901 (CHEMBL4875597) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541874 (CHEMBL4648458) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@H](C)C1 |r| Show InChI InChI=1S/C28H41N3O6S/c1-21(2)17-31(38(34,35)25-12-10-24(36-4)11-13-25)19-27(32)26(16-23-8-6-5-7-9-23)29-28(33)20-30-14-15-37-22(3)18-30/h5-13,21-22,26-27,32H,14-20H2,1-4H3,(H,29,33)/t22-,26+,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541884 (CHEMBL4633046) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H34F3N3O5S/c1-19(2)17-32(38(35,36)22-10-8-21(9-11-22)26(27,28)29)18-24(33)23(16-20-6-4-3-5-7-20)30-25(34)31-12-14-37-15-13-31/h3-11,19,23-24,33H,12-18H2,1-2H3,(H,30,34)/t23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541876 (CHEMBL4637468) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@H](C)C1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H40N4O5S/c1-20(2)16-31(37(34,35)24-11-9-23(28)10-12-24)18-26(32)25(15-22-7-5-4-6-8-22)29-27(33)19-30-13-14-36-21(3)17-30/h4-12,20-21,25-26,32H,13-19,28H2,1-3H3,(H,29,33)/t21-,25+,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541888 (CHEMBL4645584) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C26H38N4O5S/c1-20(2)18-30(36(33,34)23-10-8-22(27)9-11-23)19-25(31)24(16-21-6-4-3-5-7-21)28-17-26(32)29-12-14-35-15-13-29/h3-11,20,24-25,28,31H,12-19,27H2,1-2H3/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541879 (CHEMBL4636812) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@@H](C)C1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H40N4O5S/c1-20(2)16-31(37(34,35)24-11-9-23(28)10-12-24)18-26(32)25(15-22-7-5-4-6-8-22)29-27(33)19-30-13-14-36-21(3)17-30/h4-12,20-21,25-26,32H,13-19,28H2,1-3H3,(H,29,33)/t21-,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576902 (CHEMBL4868416) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50576903 (CHEMBL4859317) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113450 BindingDB Entry DOI: 10.7270/Q2571GTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541875 (CHEMBL4632677) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@H](C)C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N3O5S/c1-20(2)16-34(40(37,38)24-11-9-23(10-12-24)28(29,30)31)18-26(35)25(15-22-7-5-4-6-8-22)32-27(36)19-33-13-14-39-21(3)17-33/h4-12,20-21,25-26,35H,13-19H2,1-3H3,(H,32,36)/t21-,25+,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541878 (CHEMBL4647131) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@@H](C)C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N3O5S/c1-20(2)16-34(40(37,38)24-11-9-23(10-12-24)28(29,30)31)18-26(35)25(15-22-7-5-4-6-8-22)32-27(36)19-33-13-14-39-21(3)17-33/h4-12,20-21,25-26,35H,13-19H2,1-3H3,(H,32,36)/t21-,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541891 (CHEMBL4649672) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCCN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C26H40N4O4S/c1-21(2)19-30(35(32,33)24-10-8-23(27)9-11-24)20-26(31)25(18-22-6-4-3-5-7-22)28-12-13-29-14-16-34-17-15-29/h3-11,21,25-26,28,31H,12-20,27H2,1-2H3/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541887 (CHEMBL4643674) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H36F3N3O5S/c1-20(2)18-33(39(36,37)23-10-8-22(9-11-23)27(28,29)30)19-25(34)24(16-21-6-4-3-5-7-21)31-17-26(35)32-12-14-38-15-13-32/h3-11,20,24-25,31,34H,12-19H2,1-2H3/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541894 (CHEMBL4646780) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H42N4O5S/c1-21(2)18-31(37(34,35)25-10-8-23(28)9-11-25)20-27(33)26(16-22-6-4-3-5-7-22)29-17-24(32)19-30-12-14-36-15-13-30/h3-11,21,24,26-27,29,32-33H,12-20,28H2,1-2H3/t24-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541889 (CHEMBL4641200) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NCCN1CCOCC1 |r| Show InChI InChI=1S/C27H41N3O5S/c1-22(2)20-30(36(32,33)25-11-9-24(34-3)10-12-25)21-27(31)26(19-23-7-5-4-6-8-23)28-13-14-29-15-17-35-18-16-29/h4-12,22,26-28,31H,13-21H2,1-3H3/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541886 (CHEMBL4635226) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-21(2)19-30(37(33,34)24-11-9-23(35-3)10-12-24)20-26(31)25(17-22-7-5-4-6-8-22)28-18-27(32)29-13-15-36-16-14-29/h4-12,21,25-26,28,31H,13-20H2,1-3H3/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541890 (CHEMBL4632437) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCCN1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H38F3N3O4S/c1-21(2)19-33(38(35,36)24-10-8-23(9-11-24)27(28,29)30)20-26(34)25(18-22-6-4-3-5-7-22)31-12-13-32-14-16-37-17-15-32/h3-11,21,25-26,31,34H,12-20H2,1-2H3/t25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541893 (CHEMBL4644439) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H40F3N3O5S/c1-21(2)18-34(40(37,38)25-10-8-23(9-11-25)28(29,30)31)20-27(36)26(16-22-6-4-3-5-7-22)32-17-24(35)19-33-12-14-39-15-13-33/h3-11,21,24,26-27,32,35-36H,12-20H2,1-2H3/t24-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	651	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541892 (CHEMBL4635541) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC[C@H](O)CN1CCOCC1 |r| Show InChI InChI=1S/C28H43N3O6S/c1-22(2)19-31(38(34,35)26-11-9-25(36-3)10-12-26)21-28(33)27(17-23-7-5-4-6-8-23)29-18-24(32)20-30-13-15-37-16-14-30/h4-12,22,24,27-29,32-33H,13-21H2,1-3H3/t24-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020) Article DOI: 10.1021/acsmedchemlett.0c00043 BindingDB Entry DOI: 10.7270/Q23200F2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50600465 (CHEMBL5176682) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116760 BindingDB Entry DOI: 10.7270/Q29S1W3T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50550778 (CHEMBL4741886) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(=O)oc2cc(O)ccc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HIV1 protease measured assessed as hydrolysis of fluorogenic substrate by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111900 BindingDB Entry DOI: 10.7270/Q2D79G2V
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincuba...				Eur J Med Chem 137: 30-44 (2017) Article DOI: 10.1016/j.ejmech.2017.05.024 BindingDB Entry DOI: 10.7270/Q21J9D8D
					More data for this Ligand-Target Pair				3D Structure (crystal)

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