Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'lacoste' and Initial = 'je'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93213 (Benzimidazole Inhibitor, 6) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H31Cl2N5O2/c33-26-13-11-23(17-27(26)34)30-25(19-36-38-30)31-37-28-18-22(20-7-9-21(10-8-20)32(40)41)12-14-29(28)39(31)16-4-15-35-24-5-2-1-3-6-24/h7-14,17-19,24,35H,1-6,15-16H2,(H,36,38)(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	500	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93212 (Benzimidazole Inhibitor, 5) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCN3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C32H30F3N5O2/c33-32(34,35)25-12-9-22(10-13-25)29-26(20-36-38-29)30-37-27-19-24(21-5-7-23(8-6-21)31(41)42)11-14-28(27)40(30)18-4-17-39-15-2-1-3-16-39/h5-14,19-20H,1-4,15-18H2,(H,36,38)(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93214 (Benzodiazepine Inhibitor, 7) Show SMILES COCCN=CC1C(=O)N(C)c2ccc(cc2N(c2ccccc2)C1=O)C(F)(F)F |w:5.5| Show InChI InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,16H,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93209 (Benzimidazole Inhibitor, 2) Show SMILES CN(C)CCCn1c(nc2cc(ccc12)-c1ccc(cc1)C(O)=O)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H26F3N5O2/c1-36(2)14-3-15-37-25-13-10-21(18-4-6-20(7-5-18)28(38)39)16-24(25)34-27(37)23-17-33-35-26(23)19-8-11-22(12-9-19)29(30,31)32/h4-13,16-17H,3,14-15H2,1-2H3,(H,33,35)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	4.30E+3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93211 (Benzimidazole Inhibitor, 4) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCn3ccnc3)c(nc2c1)-c1c[nH]nc1-c1cccc(Cl)c1 Show InChI InChI=1S/C29H23ClN6O2/c30-23-4-1-3-22(15-23)27-24(17-32-34-27)28-33-25-16-21(19-5-7-20(8-6-19)29(37)38)9-10-26(25)36(28)13-2-12-35-14-11-31-18-35/h1,3-11,14-18H,2,12-13H2,(H,32,34)(H,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93210 (Benzimidazole Inhibitor, 3) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCn3ccnc3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H23F3N6O2/c31-30(32,33)23-9-6-20(7-10-23)27-24(17-35-37-27)28-36-25-16-22(19-2-4-21(5-3-19)29(40)41)8-11-26(25)39(28)14-1-13-38-15-12-34-18-38/h2-12,15-18H,1,13-14H2,(H,35,37)(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	8.00E+3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM93208 (Benzimidazole Inhibitor, 1) Show SMILES CN(C)CCCn1c(nc2cc(ccc12)-c1ccc(cc1)C(O)=O)-c1c[nH]nc1-c1ccccc1 Show InChI InChI=1S/C28H27N5O2/c1-32(2)15-6-16-33-25-14-13-22(19-9-11-21(12-10-19)28(34)35)17-24(25)30-27(33)23-18-29-31-26(23)20-7-4-3-5-8-20/h3-5,7-14,17-18H,6,15-16H2,1-2H3,(H,29,31)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	4.30E+4	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd					Assay Description In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.				ACS Chem Biol 8: 1074-82 (2013) Article DOI: 10.1021/cb400075f BindingDB Entry DOI: 10.7270/Q2W094JX
					More data for this Ligand-Target Pair