Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50004638   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485121 (CHEMBL2030954) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485126 (CHEMBL2030953) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-16-18-30(19-17-29)32-14-10-21-43-25-32)22-20-42(24-28-11-6-5-7-12-28)35(49)27-47(39(42)51)36-33-15-9-8-13-31(33)23-34(36)48/h5-19,21,25,34-37,48-49H,20,22-24,26-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485130 (CHEMBL2031103) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC1(Cc2ccccc2)C(O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35?,36+,37-,42?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485120 (CHEMBL2030952) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-16-18-30(19-17-29)32-14-10-21-43-25-32)22-20-42(24-28-11-6-5-7-12-28)35(49)27-47(39(42)51)36-33-15-9-8-13-31(33)23-34(36)48/h5-19,21,25,34-37,48-49H,20,22-24,26-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485118 (CHEMBL2030950) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-17-19-30(20-18-29)33-16-10-11-22-43-33)23-21-42(25-28-12-6-5-7-13-28)35(49)27-47(39(42)51)36-32-15-9-8-14-31(32)24-34(36)48/h5-20,22,34-37,48-49H,21,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485122 (CHEMBL2030955) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485119 (CHEMBL2030951) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-17-19-30(20-18-29)33-16-10-11-22-43-33)23-21-42(25-28-12-6-5-7-13-28)35(49)27-47(39(42)51)36-32-15-9-8-14-31(32)24-34(36)48/h5-20,22,34-37,48-49H,21,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485116 (CHEMBL2030946) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30-,31+,32-,37+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485131 (CHEMBL2031101) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-15-17-31(18-16-30)32-19-22-44-23-20-32)24-10-21-43(26-29-11-6-5-7-12-29)36(50)28-48(40(43)52)37-34-14-9-8-13-33(34)25-35(37)49/h5-9,11-20,22-23,35-38,49-50H,10,21,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485124 (CHEMBL2031100) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-17-19-31(20-18-30)33-15-10-22-44-26-33)23-11-21-43(25-29-12-6-5-7-13-29)36(50)28-48(40(43)52)37-34-16-9-8-14-32(34)24-35(37)49/h5-10,12-20,22,26,35-38,49-50H,11,21,23-25,27-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485114 (CHEMBL2031102) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-18-20-31(21-19-30)34-17-10-11-23-44-34)24-12-22-43(26-29-13-6-5-7-14-29)36(50)28-48(40(43)52)37-33-16-9-8-15-32(33)25-35(37)49/h5-11,13-21,23,35-38,49-50H,12,22,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485129 (CHEMBL2030949) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30+,31+,32-,37+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485123 (CHEMBL2031099) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C44H52N4O6/c1-43(2,3)39(45-42(53)54-4)40(51)46-47(28-31-20-22-33(23-21-31)32-16-9-6-10-17-32)25-13-24-44(27-30-14-7-5-8-15-30)37(50)29-48(41(44)52)38-35-19-12-11-18-34(35)26-36(38)49/h5-12,14-23,36-39,49-50H,13,24-29H2,1-4H3,(H,45,53)(H,46,51)/t36-,37-,38+,39-,44+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485128 (CHEMBL2030956) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C38H47BrN4O6/c1-37(2,3)33(40-36(48)49-4)34(46)41-42(23-26-15-17-28(39)18-16-26)20-10-19-38(22-25-11-6-5-7-12-25)31(45)24-43(35(38)47)32-29-14-9-8-13-27(29)21-30(32)44/h5-9,11-18,30-33,44-45H,10,19-24H2,1-4H3,(H,40,48)(H,41,46)/t30-,31-,32+,33-,38+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485125 (CHEMBL2030944) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6][C@]1([#6]-c2ccccc2)[#6@@H](-[#6]-[#7](-[#6@@H]-2-[#6@@H](-[#6]-c3ccccc-23)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]1=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] |r| Show InChI InChI=1S/C49H73BrN4O6Si2/c1-46(2,3)42(51-45(57)58-10)43(55)52-53(32-35-24-26-37(50)27-25-35)29-28-49(31-34-20-16-15-17-21-34)40(60-62(13,14)48(7,8)9)33-54(44(49)56)41-38-23-19-18-22-36(38)30-39(41)59-61(11,12)47(4,5)6/h15-27,39-42H,28-33H2,1-14H3,(H,51,57)(H,52,55)/t39-,40-,41+,42-,49+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485115 (CHEMBL2030945) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6][C@]1([#6]-c2ccccc2)[#6@H](-[#6]-[#7](-[#6@@H]-2-[#6@@H](-[#6]-c3ccccc-23)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]1=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] |r| Show InChI InChI=1S/C49H73BrN4O6Si2/c1-46(2,3)42(51-45(57)58-10)43(55)52-53(32-35-24-26-37(50)27-25-35)29-28-49(31-34-20-16-15-17-21-34)40(60-62(13,14)48(7,8)9)33-54(44(49)56)41-38-23-19-18-22-36(38)30-39(41)59-61(11,12)47(4,5)6/h15-27,39-42H,28-33H2,1-14H3,(H,51,57)(H,52,55)/t39-,40+,41+,42-,49+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485127 (CHEMBL2030948) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30+,31+,32-,37-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485117 (CHEMBL2030947) Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30-,31+,32-,37-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...				J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086
					More data for this Ligand-Target Pair