BindingDB logo
myBDB logout

PubMed code 26474665

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498866
PNG
(CHEMBL3629624)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(O)=O |r,c:29|
Show InChI InChI=1S/C33H53N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-31(37)24-36-30-23-27(33(39)40)19-20-28(30)26(4)35-29(32(36)38)22-25(2)3/h19-20,23,25,29H,5-18,21-22,24H2,1-4H3,(H,34,37)(H,39,40)/t29-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498826
PNG
(CHEMBL3629622)
Show SMILES CCCCCCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(O)=O |r,c:23|
Show InChI InChI=1S/C27H41N3O4/c1-5-6-7-8-9-10-11-12-15-28-25(31)18-30-24-17-21(27(33)34)13-14-22(24)20(4)29-23(26(30)32)16-19(2)3/h13-14,17,19,23H,5-12,15-16,18H2,1-4H3,(H,28,31)(H,33,34)/t23-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498837
PNG
(CHEMBL3629506)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C28H34N2O3/c1-18(2)15-25-27(31)30(26-16-23(28(32)33)13-14-24(26)19(3)29-25)17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-14,16,18,21,25H,4-8,15,17H2,1-3H3,(H,32,33)/t25-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.90E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498831
PNG
(CHEMBL3629520)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)-c2ccccc2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C28H28N2O3/c1-18(2)15-25-27(31)30(26-16-23(28(32)33)13-14-24(26)19(3)29-25)17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,32,33)/t25-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498838
PNG
(CHEMBL3629504)
Show SMILES CC(C)C[C@@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C28H34N2O3/c1-18(2)15-25-27(31)30(26-16-23(28(32)33)13-14-24(26)19(3)29-25)17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-14,16,18,21,25H,4-8,15,17H2,1-3H3,(H,32,33)/t25-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.70E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498817
PNG
(CHEMBL3629518)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C(C)(C)C)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C26H32N2O3/c1-16(2)13-22-24(29)28(15-18-7-10-20(11-8-18)26(4,5)6)23-14-19(25(30)31)9-12-21(23)17(3)27-22/h7-12,14,16,22H,13,15H2,1-6H3,(H,30,31)/t22-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.60E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498856
PNG
(CHEMBL3629511)
Show SMILES CC1=N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(O)=O |r,t:1|
Show InChI InChI=1S/C31H32N2O3/c1-21-27-17-16-26(31(35)36)19-29(27)33(30(34)28(32-21)18-22-8-4-2-5-9-22)20-23-12-14-25(15-13-23)24-10-6-3-7-11-24/h2,4-5,8-9,12-17,19,24,28H,3,6-7,10-11,18,20H2,1H3,(H,35,36)/t28-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.70E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498860
PNG
(CHEMBL3629722)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCC2c3ccccc3-c3ccccc23)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C36H38N4O6/c1-22(2)18-31-34(42)40(32-19-24(35(43)44)12-13-25(32)23(3)37-31)20-33(41)38-14-16-39(17-15-38)36(45)46-21-30-28-10-6-4-8-26(28)27-9-5-7-11-29(27)30/h4-13,19,22,30-31H,14-18,20-21H2,1-3H3,(H,43,44)/t31-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.90E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498835
PNG
(CHEMBL3629509)
Show SMILES [H][C@]1(N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(O)=O)[C@@H](C)CC |r,t:2|
Show InChI InChI=1S/C28H34N2O3/c1-4-18(2)26-27(31)30(25-16-23(28(32)33)14-15-24(25)19(3)29-26)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h10-16,18,21,26H,4-9,17H2,1-3H3,(H,32,33)/t18-,26-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.30E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498858
PNG
(CHEMBL3629510)
Show SMILES CC1=N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(=O)OC(C)(C)C |r,t:1|
Show InChI InChI=1S/C35H40N2O3/c1-24-30-20-19-29(34(39)40-35(2,3)4)22-32(30)37(33(38)31(36-24)21-25-11-7-5-8-12-25)23-26-15-17-28(18-16-26)27-13-9-6-10-14-27/h5,7-8,11-12,15-20,22,27,31H,6,9-10,13-14,21,23H2,1-4H3/t31-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.40E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498819
PNG
(CHEMBL3629502)
Show SMILES C[C@@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(O)=O |r,t:2|
Show InChI InChI=1S/C25H28N2O3/c1-16-22-13-12-21(25(29)30)14-23(22)27(24(28)17(2)26-16)15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h8-14,17,19H,3-7,15H2,1-2H3,(H,29,30)/t17-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.60E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498822
PNG
(CHEMBL3629519)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)-c2ccccc2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C32H36N2O3/c1-21(2)18-28-30(35)34(20-23-12-14-25(15-13-23)24-10-8-7-9-11-24)29-19-26(31(36)37-32(4,5)6)16-17-27(29)22(3)33-28/h7-17,19,21,28H,18,20H2,1-6H3/t28-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.20E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498870
PNG
(CHEMBL3629372)
Show SMILES CC1=N[C@@H](Cc2ccccc2)C(=O)Nc2cc(ccc12)C(=O)OC(C)(C)C |r,t:1|
Show InChI InChI=1S/C22H24N2O3/c1-14-17-11-10-16(21(26)27-22(2,3)4)13-18(17)24-20(25)19(23-14)12-15-8-6-5-7-9-15/h5-11,13,19H,12H2,1-4H3,(H,24,25)/t19-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.40E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498824
PNG
(CHEMBL3629505)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C32H42N2O3/c1-21(2)18-28-30(35)34(20-23-12-14-25(15-13-23)24-10-8-7-9-11-24)29-19-26(31(36)37-32(4,5)6)16-17-27(29)22(3)33-28/h12-17,19,21,24,28H,7-11,18,20H2,1-6H3/t28-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498834
PNG
(CHEMBL3629514)
Show SMILES CC(C)C[C@H]1N=C(c2ccccc2)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C33H36N2O3/c1-22(2)19-29-32(36)35(21-23-13-15-25(16-14-23)24-9-5-3-6-10-24)30-20-27(33(37)38)17-18-28(30)31(34-29)26-11-7-4-8-12-26/h4,7-8,11-18,20,22,24,29H,3,5-6,9-10,19,21H2,1-2H3,(H,37,38)/t29-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.80E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498869
PNG
(CHEMBL3629513)
Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(O)=O |r,t:1|
Show InChI InChI=1S/C31H32N2O3/c1-21-27-17-16-26(31(35)36)19-29(27)33(30(34)28(32-21)18-22-8-4-2-5-9-22)20-23-12-14-25(15-13-23)24-10-6-3-7-11-24/h2,4-5,8-9,12-17,19,24,28H,3,6-7,10-11,18,20H2,1H3,(H,35,36)/t28-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.20E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498850
PNG
(CHEMBL3629620)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)NCCc2ccccc2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C25H29N3O4/c1-16(2)13-21-24(30)28(15-23(29)26-12-11-18-7-5-4-6-8-18)22-14-19(25(31)32)9-10-20(22)17(3)27-21/h4-10,14,16,21H,11-13,15H2,1-3H3,(H,26,29)(H,31,32)/t21-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498864
PNG
(CHEMBL3629626)
Show SMILES CCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(O)=O |r,c:19|
Show InChI InChI=1S/C23H33N3O4/c1-5-6-7-8-11-24-21(27)14-26-20-13-17(23(29)30)9-10-18(20)16(4)25-19(22(26)28)12-15(2)3/h9-10,13,15,19H,5-8,11-12,14H2,1-4H3,(H,24,27)(H,29,30)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498853
PNG
(CHEMBL3629503)
Show SMILES CC(C)C[C@@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C32H42N2O3/c1-21(2)18-28-30(35)34(20-23-12-14-25(15-13-23)24-10-8-7-9-11-24)29-19-26(31(36)37-32(4,5)6)16-17-27(29)22(3)33-28/h12-17,19,21,24,28H,7-11,18,20H2,1-6H3/t28-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.60E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498847
PNG
(CHEMBL3629630)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C29H34N4O6/c1-19(2)15-24-27(35)33(25-16-22(28(36)37)9-10-23(25)20(3)30-24)17-26(34)31-11-13-32(14-12-31)29(38)39-18-21-7-5-4-6-8-21/h4-10,16,19,24H,11-15,17-18H2,1-3H3,(H,36,37)/t24-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498839
PNG
(CHEMBL3629377)
Show SMILES CC1=NCC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(O)=O |t:1|
Show InChI InChI=1S/C24H26N2O3/c1-16-21-12-11-20(24(28)29)13-22(21)26(23(27)14-25-16)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-13,18H,2-6,14-15H2,1H3,(H,28,29)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498841
PNG
(CHEMBL3629374)
Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)Nc2cc(ccc12)C(=O)OC(C)(C)C |r,t:1|
Show InChI InChI=1S/C22H24N2O3/c1-14-17-11-10-16(21(26)27-22(2,3)4)13-18(17)24-20(25)19(23-14)12-15-8-6-5-7-9-15/h5-11,13,19H,12H2,1-4H3,(H,24,25)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.80E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498852
PNG
(CHEMBL3629507)
Show SMILES CC(C)C[C@H]1N=C(c2ccccc2)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C37H44N2O3/c1-25(2)22-32-35(40)39(24-26-16-18-28(19-17-26)27-12-8-6-9-13-27)33-23-30(36(41)42-37(3,4)5)20-21-31(33)34(38-32)29-14-10-7-11-15-29/h7,10-11,14-21,23,25,27,32H,6,8-9,12-13,22,24H2,1-5H3/t32-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.80E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498861
PNG
(CHEMBL3629378)
Show SMILES C[C@@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:2|
Show InChI InChI=1S/C29H36N2O3/c1-19-25-16-15-24(28(33)34-29(3,4)5)17-26(25)31(27(32)20(2)30-19)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h11-17,20,22H,6-10,18H2,1-5H3/t20-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.80E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498830
PNG
(CHEMBL3629521)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(C)C)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C23H34N2O3/c1-14(2)11-19-21(26)25(13-15(3)4)20-12-17(22(27)28-23(6,7)8)9-10-18(20)16(5)24-19/h9-10,12,14-15,19H,11,13H2,1-8H3/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.90E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498827
PNG
(CHEMBL3629619)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)NCCc2ccccc2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C29H37N3O4/c1-19(2)16-24-27(34)32(18-26(33)30-15-14-21-10-8-7-9-11-21)25-17-22(28(35)36-29(4,5)6)12-13-23(25)20(3)31-24/h7-13,17,19,24H,14-16,18H2,1-6H3,(H,30,33)/t24-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 9.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498836
PNG
(CHEMBL3629508)
Show SMILES [H][C@]1(N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C)[C@@H](C)CC |r,t:2|
Show InChI InChI=1S/C32H42N2O3/c1-7-21(2)29-30(35)34(20-23-13-15-25(16-14-23)24-11-9-8-10-12-24)28-19-26(31(36)37-32(4,5)6)17-18-27(28)22(3)33-29/h13-19,21,24,29H,7-12,20H2,1-6H3/t21-,29-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.08E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498815
PNG
(CHEMBL3629523)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)OC(C)(C)C)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C25H36N2O5/c1-15(2)12-19-22(29)27(14-21(28)31-24(4,5)6)20-13-17(23(30)32-25(7,8)9)10-11-18(20)16(3)26-19/h10-11,13,15,19H,12,14H2,1-9H3/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.19E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498818
PNG
(CHEMBL3629512)
Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(=O)OC(C)(C)C |r,t:1|
Show InChI InChI=1S/C35H40N2O3/c1-24-30-20-19-29(34(39)40-35(2,3)4)22-32(30)37(33(38)31(36-24)21-25-11-7-5-8-12-25)23-26-15-17-28(18-16-26)27-13-9-6-10-14-27/h5,7-8,11-12,15-20,22,27,31H,6,9-10,13-14,21,23H2,1-4H3/t31-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.31E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498848
PNG
(CHEMBL3629627)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C30H44N4O6/c1-19(2)16-23-26(36)34(18-25(35)32-12-14-33(15-13-32)28(38)40-30(7,8)9)24-17-21(27(37)39-29(4,5)6)10-11-22(24)20(3)31-23/h10-11,17,19,23H,12-16,18H2,1-9H3/t23-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.43E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498832
PNG
(CHEMBL3629517)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C(C)(C)C)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C30H40N2O3/c1-19(2)16-25-27(33)32(18-21-10-13-23(14-11-21)29(4,5)6)26-17-22(28(34)35-30(7,8)9)12-15-24(26)20(3)31-25/h10-15,17,19,25H,16,18H2,1-9H3/t25-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.47E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498820
PNG
(CHEMBL3629371)
Show SMILES [H][C@]1(N=C(C)c2ccc(cc2NC1=O)C(O)=O)[C@@H](C)CC |r,t:2|
Show InChI InChI=1S/C15H18N2O3/c1-4-8(2)13-14(18)17-12-7-10(15(19)20)5-6-11(12)9(3)16-13/h5-8,13H,4H2,1-3H3,(H,17,18)(H,19,20)/t8-,13-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.58E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498825
PNG
(CHEMBL3629623)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(=O)OC(C)(C)C |r,c:29|
Show InChI InChI=1S/C37H61N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-38-34(41)27-40-33-26-30(36(43)44-37(5,6)7)22-23-31(33)29(4)39-32(35(40)42)25-28(2)3/h22-23,26,28,32H,8-21,24-25,27H2,1-7H3,(H,38,41)/t32-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.65E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498840
PNG
(CHEMBL3629376)
Show SMILES CC1=NCC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(=O)OC(C)(C)C |t:1|
Show InChI InChI=1S/C28H34N2O3/c1-19-24-15-14-23(27(32)33-28(2,3)4)16-25(24)30(26(31)17-29-19)18-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h10-16,21H,5-9,17-18H2,1-4H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.69E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498844
PNG
(CHEMBL3629366)
Show SMILES CC(C)C[C@@H]1N=C(C)c2ccc(cc2NC1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C19H26N2O3/c1-11(2)9-16-17(22)21-15-10-13(18(23)24-19(4,5)6)7-8-14(15)12(3)20-16/h7-8,10-11,16H,9H2,1-6H3,(H,21,22)/t16-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.93E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498821
PNG
(CHEMBL3629363)
Show SMILES CC1=NCC(=O)Nc2cc(ccc12)C(O)=O |t:1|
Show InChI InChI=1S/C11H10N2O3/c1-6-8-3-2-7(11(15)16)4-9(8)13-10(14)5-12-6/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.99E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498862
PNG
(CHEMBL3629516)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccccc2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C22H24N2O3/c1-14(2)11-19-21(25)24(13-16-7-5-4-6-8-16)20-12-17(22(26)27)9-10-18(20)15(3)23-19/h4-10,12,14,19H,11,13H2,1-3H3,(H,26,27)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498851
PNG
(CHEMBL3629522)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(C)C)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C19H26N2O3/c1-11(2)8-16-18(22)21(10-12(3)4)17-9-14(19(23)24)6-7-15(17)13(5)20-16/h6-7,9,11-12,16H,8,10H2,1-5H3,(H,23,24)/t16-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498829
PNG
(CHEMBL3629524)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(O)=O)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C17H20N2O5/c1-9(2)6-13-16(22)19(8-15(20)21)14-7-11(17(23)24)4-5-12(14)10(3)18-13/h4-5,7,9,13H,6,8H2,1-3H3,(H,20,21)(H,23,24)/t13-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498867
PNG
(CHEMBL3629365)
Show SMILES C[C@@H]1N=C(C)c2ccc(cc2NC1=O)C(O)=O |r,t:2|
Show InChI InChI=1S/C12H12N2O3/c1-6-9-4-3-8(12(16)17)5-10(9)14-11(15)7(2)13-6/h3-5,7H,1-2H3,(H,14,15)(H,16,17)/t7-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498833
PNG
(CHEMBL3629515)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccccc2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C26H32N2O3/c1-17(2)14-22-24(29)28(16-19-10-8-7-9-11-19)23-15-20(25(30)31-26(4,5)6)12-13-21(23)18(3)27-22/h7-13,15,17,22H,14,16H2,1-6H3/t22-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498855
PNG
(CHEMBL3629368)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2NC1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C19H26N2O3/c1-11(2)9-16-17(22)21-15-10-13(18(23)24-19(4,5)6)7-8-14(15)12(3)20-16/h7-8,10-11,16H,9H2,1-6H3,(H,21,22)/t16-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498846
PNG
(CHEMBL3629721)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCC2c3ccccc3-c3ccccc23)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C40H46N4O6/c1-25(2)21-34-37(46)44(35-22-27(38(47)50-40(4,5)6)15-16-28(35)26(3)41-34)23-36(45)42-17-19-43(20-18-42)39(48)49-24-33-31-13-9-7-11-29(31)30-12-8-10-14-32(30)33/h7-16,22,25,33-34H,17-21,23-24H2,1-6H3/t34-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498845
PNG
(CHEMBL3629364)
Show SMILES C[C@@H]1N=C(C)c2ccc(cc2NC1=O)C(=O)OC(C)(C)C |r,t:2|
Show InChI InChI=1S/C16H20N2O3/c1-9-12-7-6-11(15(20)21-16(3,4)5)8-13(12)18-14(19)10(2)17-9/h6-8,10H,1-5H3,(H,18,19)/t10-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498842
PNG
(CHEMBL3629370)
Show SMILES [H][C@]1(N=C(C)c2ccc(cc2NC1=O)C(=O)OC(C)(C)C)[C@@H](C)CC |r,t:2|
Show InChI InChI=1S/C19H26N2O3/c1-7-11(2)16-17(22)21-15-10-13(18(23)24-19(4,5)6)8-9-14(15)12(3)20-16/h8-11,16H,7H2,1-6H3,(H,21,22)/t11-,16-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498854
PNG
(CHEMBL3629373)
Show SMILES CC1=N[C@@H](Cc2ccccc2)C(=O)Nc2cc(ccc12)C(O)=O |r,t:1|
Show InChI InChI=1S/C18H16N2O3/c1-11-14-8-7-13(18(22)23)10-15(14)20-17(21)16(19-11)9-12-5-3-2-4-6-12/h2-8,10,16H,9H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498843
PNG
(CHEMBL3629367)
Show SMILES CC(C)C[C@@H]1N=C(C)c2ccc(cc2NC1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C15H18N2O3/c1-8(2)6-13-14(18)17-12-7-10(15(19)20)4-5-11(12)9(3)16-13/h4-5,7-8,13H,6H2,1-3H3,(H,17,18)(H,19,20)/t13-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498865
PNG
(CHEMBL3629362)
Show SMILES CC1=NCC(=O)Nc2cc(ccc12)C(=O)OC(C)(C)C |t:1|
Show InChI InChI=1S/C15H18N2O3/c1-9-11-6-5-10(14(19)20-15(2,3)4)7-12(11)17-13(18)8-16-9/h5-7H,8H2,1-4H3,(H,17,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498857
PNG
(CHEMBL3629525)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccncc2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C25H31N3O3/c1-16(2)13-21-23(29)28(15-18-9-11-26-12-10-18)22-14-19(24(30)31-25(4,5)6)7-8-20(22)17(3)27-21/h7-12,14,16,21H,13,15H2,1-6H3/t21-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498849
PNG
(CHEMBL3629625)
Show SMILES CCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(=O)OC(C)(C)C |r,c:19|
Show InChI InChI=1S/C27H41N3O4/c1-8-9-10-11-14-28-24(31)17-30-23-16-20(26(33)34-27(5,6)7)12-13-21(23)19(4)29-22(25(30)32)15-18(2)3/h12-13,16,18,22H,8-11,14-15,17H2,1-7H3,(H,28,31)/t22-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498823
PNG
(CHEMBL3629629)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C33H42N4O6/c1-22(2)18-27-30(39)37(28-19-25(31(40)43-33(4,5)6)12-13-26(28)23(3)34-27)20-29(38)35-14-16-36(17-15-35)32(41)42-21-24-10-8-7-9-11-24/h7-13,19,22,27H,14-18,20-21H2,1-6H3/t27-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498868
PNG
(CHEMBL3629628)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCNCC2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-17-20(27)25(12-19(26)24-8-6-22-7-9-24)18-11-15(21(28)29)4-5-16(18)14(3)23-17/h4-5,11,13,17,22H,6-10,12H2,1-3H3,(H,28,29)/t17-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498863
PNG
(CHEMBL3629369)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2NC1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C15H18N2O3/c1-8(2)6-13-14(18)17-12-7-10(15(19)20)4-5-11(12)9(3)16-13/h4-5,7-8,13H,6H2,1-3H3,(H,17,18)(H,19,20)/t13-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498859
PNG
(CHEMBL3629375)
Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)Nc2cc(ccc12)C(O)=O |r,t:1|
Show InChI InChI=1S/C18H16N2O3/c1-11-14-8-7-13(18(22)23)10-15(14)20-17(21)16(19-11)9-12-5-3-2-4-6-12/h2-8,10,16H,9H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498828
PNG
(CHEMBL3629618)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccncc2)C1=O)C(O)=O |r,t:5|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)10-18-20(25)24(12-15-6-8-22-9-7-15)19-11-16(21(26)27)4-5-17(19)14(3)23-18/h4-9,11,13,18H,10,12H2,1-3H3,(H,26,27)/t18-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498816
PNG
(CHEMBL3629621)
Show SMILES CCCCCCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(=O)OC(C)(C)C |r,c:23|
Show InChI InChI=1S/C31H49N3O4/c1-8-9-10-11-12-13-14-15-18-32-28(35)21-34-27-20-24(30(37)38-31(5,6)7)16-17-25(27)23(4)33-26(29(34)36)19-22(2)3/h16-17,20,22,26H,8-15,18-19,21H2,1-7H3,(H,32,35)/t26-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%