Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'kenesky' and Initial = 'cs'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8530 ((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-4-[(3aR,8aS)-2...) Show SMILES O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12| Show InChI InChI=1S/C36H37N3O7/c40-29(28(17-22-9-3-1-4-10-22)38-34(42)45-24-15-16-44-21-24)19-36(18-23-11-5-2-6-12-23)33(41)27(20-37-36)30-25-13-7-8-14-26(25)31-32(30)46-35(43)39-31/h1-14,20,24,27-32,40H,15-19,21H2,(H,38,42)(H,39,43)/t24-,27?,28-,29-,30?,31+,32-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM726 ((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2...) Show SMILES O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2[C@H](O)Cc3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12| Show InChI InChI=1S/C35H38N2O6/c38-30-18-25-13-7-8-14-27(25)32(30)28-21-36-35(33(28)40,19-24-11-5-2-6-12-24)20-31(39)29(17-23-9-3-1-4-10-23)37-34(41)43-26-15-16-42-22-26/h1-14,21,26,28-32,38-39H,15-20,22H2,(H,37,41)/t26-,28?,29-,30+,31-,32?,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM727 ((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2...) Show SMILES NC(=O)O[C@@H]1Cc2ccccc2C1C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:16| Show InChI InChI=1S/C36H39N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,21,26,28-32,40H,15-20,22H2,(H2,37,42)(H,39,43)/t26-,28?,29-,30-,31+,32?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8529 ((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(3...) Show SMILES NC(=O)C[C@H]1CC(C2C=N[C@](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CCOC3)(Cc3ccccc3)C2=O)c2ccccc12 |r,c:8| Show InChI InChI=1S/C37H41N3O6/c38-34(42)19-26-18-30(29-14-8-7-13-28(26)29)31-22-39-37(35(31)43,20-25-11-5-2-6-12-25)21-33(41)32(17-24-9-3-1-4-10-24)40-36(44)46-27-15-16-45-23-27/h1-14,22,26-27,30-33,41H,15-21,23H2,(H2,38,42)(H,40,44)/t26-,27+,30?,31?,32+,33+,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8533 (monopyrrolinone-based inhibitor (-)-20 | monopyrro...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O |r,c:29| Show InChI InChI=1S/C36H39N3O6/c1-35(2,3)45-34(43)38-27(18-22-12-6-4-7-13-22)28(40)20-36(19-23-14-8-5-9-15-23)32(41)26(21-37-36)29-24-16-10-11-17-25(24)30-31(29)44-33(42)39-30/h4-17,21,26-31,40H,18-20H2,1-3H3,(H,38,43)(H,39,42)/t26?,27-,28-,29?,30+,31-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM728 ((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-3-oxo...) Show SMILES O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2CNC(=O)c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12| Show InChI InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28-31,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28?,29?,30-,31-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8531 (monopyrrolinone-based inhibitor (+)-18 | monopyrro...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2C[C@H](CC(N)=O)c3ccccc23)C1=O |r,c:29| Show InChI InChI=1S/C37H43N3O5/c1-36(2,3)45-35(44)40-31(18-24-12-6-4-7-13-24)32(41)22-37(21-25-14-8-5-9-15-25)34(43)30(23-39-37)29-19-26(20-33(38)42)27-16-10-11-17-28(27)29/h4-17,23,26,29-32,41H,18-22H2,1-3H3,(H2,38,42)(H,40,44)/t26-,29?,30?,31+,32+,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.5	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8534 (N-[(2S,3S)-4-[(2S)-4-[(3aR,8aS)-2-oxo-2H,3H,3aH,8H...) Show SMILES CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O |r,c:29| Show InChI InChI=1S/C37H41N3O5/c1-36(2,3)21-30(42)39-28(18-23-12-6-4-7-13-23)29(41)20-37(19-24-14-8-5-9-15-24)34(43)27(22-38-37)31-25-16-10-11-17-26(25)32-33(31)45-35(44)40-32/h4-17,22,27-29,31-33,41H,18-21H2,1-3H3,(H,39,42)(H,40,44)/t27?,28-,29-,31?,32+,33-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8532 (N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(3R)-3-(carbamoylme...) Show SMILES CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2C[C@H](CC(N)=O)c3ccccc23)C1=O |r,c:29| Show InChI InChI=1S/C38H45N3O4/c1-37(2,3)23-35(44)41-32(18-25-12-6-4-7-13-25)33(42)22-38(21-26-14-8-5-9-15-26)36(45)31(24-40-38)30-19-27(20-34(39)43)28-16-10-11-17-29(28)30/h4-17,24,27,30-33,42H,18-23H2,1-3H3,(H2,39,43)(H,41,44)/t27-,30?,31?,32+,33+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>250	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
					More data for this Ligand-Target Pair