Compile Data Set for Download or QSAR

Found 560 hits with Last Name = 'naidu' and Initial = 'bn'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50559797 (CHEMBL4786078) Show SMILES CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c1=O |(11.1,-26.94,;12.4,-26.12,;12.34,-24.58,;13.76,-26.83,;13.83,-28.37,;15.07,-26.01,;15,-24.47,;16.43,-26.72,;17.73,-25.9,;18.79,-27.04,;20.33,-26.91,;21.21,-25.64,;19.57,-26.13,;18.81,-24.8,;20.74,-24.16,;19.3,-23.6,;17.96,-24.37,;16.64,-23.61,;16.64,-22.07,;15.3,-21.31,;15.29,-19.77,;13.97,-22.08,;12.63,-21.31,;11.3,-22.09,;11.31,-23.62,;9.98,-24.39,;8.64,-23.63,;7.31,-24.4,;8.64,-22.09,;7.3,-21.32,;9.97,-21.31,;17.96,-21.29,;17.96,-19.75,;19.29,-22.07,;20.63,-21.31,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type HIV1 integrase G140S/Q148H mutant				Citation and Details Article DOI: 10.1016/j.bmc.2020.115541 BindingDB Entry DOI: 10.7270/Q23R0XKX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50559796 (CHEMBL4779601) Show SMILES CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O |(8.88,-35.92,;8.94,-37.46,;7.64,-38.28,;10.3,-38.18,;10.37,-39.71,;11.61,-37.35,;11.54,-35.81,;12.97,-38.07,;14.27,-37.24,;15.33,-38.38,;16.87,-38.26,;17.75,-36.98,;16.12,-37.47,;15.67,-36.2,;17.28,-35.51,;15.84,-34.94,;14.5,-35.71,;13.18,-34.95,;13.18,-33.41,;11.84,-32.65,;11.83,-31.11,;10.51,-33.42,;9.17,-32.65,;7.84,-33.43,;6.51,-32.66,;5.18,-33.43,;5.18,-34.97,;3.85,-35.75,;6.52,-35.74,;7.85,-34.96,;14.5,-32.64,;14.5,-31.1,;15.83,-33.41,;17.17,-32.65,)| Show InChI	PDB UniProtKB/TrEMBL 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
TBA					Assay Description Binding affinity to wild type HIV1 integrase G140S/Q148H mutant				Citation and Details Article DOI: 10.1016/j.bmc.2020.115541 BindingDB Entry DOI: 10.7270/Q23R0XKX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527158 (CHEMBL4476366) Show SMILES Cc1nc2cc(nn2c(-c2ccc3OCCCc3c2)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C28H29N3O4/c1-17-24(26(27(32)33)35-28(2,3)4)25(20-12-13-22-19(15-20)11-8-14-34-22)31-23(29-17)16-21(30-31)18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16,26H,8,11,14H2,1-4H3,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527145 (CHEMBL4460705) Show SMILES Cc1nc2cc(nn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C26H34N4O3/c1-17-21(22(24(31)32)33-25(2,3)4)23(29-14-12-26(5,6)13-15-29)30-20(27-17)16-19(28-30)18-10-8-7-9-11-18/h7-11,16,22H,12-15H2,1-6H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527154 (CHEMBL4454255) Show SMILES Cc1nc2cc(nn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccccc1 |r,wD:22.26,(14.1,-46.79,;12.76,-46.03,;11.43,-46.8,;10.09,-46.03,;8.63,-46.5,;7.72,-45.25,;8.63,-44.02,;10.09,-44.49,;11.42,-43.71,;11.41,-42.18,;12.75,-41.41,;12.74,-39.87,;14.07,-39.09,;11.4,-39.11,;11.39,-37.57,;10.05,-36.8,;8.72,-37.58,;8.72,-39.13,;10.07,-39.89,;10.08,-41.42,;8.75,-42.2,;12.76,-44.48,;14.09,-43.7,;14.08,-42.16,;15.41,-41.39,;15.41,-39.85,;16.75,-42.15,;16.74,-40.6,;15.43,-44.47,;16.76,-43.69,;15.43,-46.01,;6.18,-45.26,;5.42,-43.92,;3.88,-43.92,;3.1,-45.25,;3.88,-46.59,;5.42,-46.59,)| Show InChI InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50527152 (CHEMBL4573064) Show SMILES Cc1nc2cc(nn2c(-c2cc(F)c3OCCCc3c2C)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 |(49.75,-47.2,;48.41,-46.44,;47.08,-47.21,;45.74,-46.44,;44.28,-46.91,;43.38,-45.66,;44.28,-44.43,;45.75,-44.9,;47.07,-44.12,;47.06,-42.59,;48.41,-41.82,;48.39,-40.28,;49.72,-39.5,;47.05,-39.52,;47.05,-37.98,;45.71,-37.21,;44.37,-37.99,;44.37,-39.54,;45.72,-40.3,;45.73,-41.83,;44.4,-42.61,;48.41,-44.89,;49.74,-44.11,;49.73,-42.57,;51.07,-41.8,;51.06,-40.26,;52.4,-42.56,;52.39,-41.01,;51.08,-44.88,;52.41,-44.1,;51.08,-46.42,;41.84,-45.67,;41.07,-44.33,;39.53,-44.33,;38.76,-45.66,;39.53,-47,;41.07,-47,)| Show InChI InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50527152 (CHEMBL4573064) Show SMILES Cc1nc2cc(nn2c(-c2cc(F)c3OCCCc3c2C)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 |(49.75,-47.2,;48.41,-46.44,;47.08,-47.21,;45.74,-46.44,;44.28,-46.91,;43.38,-45.66,;44.28,-44.43,;45.75,-44.9,;47.07,-44.12,;47.06,-42.59,;48.41,-41.82,;48.39,-40.28,;49.72,-39.5,;47.05,-39.52,;47.05,-37.98,;45.71,-37.21,;44.37,-37.99,;44.37,-39.54,;45.72,-40.3,;45.73,-41.83,;44.4,-42.61,;48.41,-44.89,;49.74,-44.11,;49.73,-42.57,;51.07,-41.8,;51.06,-40.26,;52.4,-42.56,;52.39,-41.01,;51.08,-44.88,;52.41,-44.1,;51.08,-46.42,;41.84,-45.67,;41.07,-44.33,;39.53,-44.33,;38.76,-45.66,;39.53,-47,;41.07,-47,)| Show InChI InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50527149 (CHEMBL4565963) Show SMILES COc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-11-13-19(32-5)14-12-18)29-21(27-16)15-20(28-29)17-9-7-6-8-10-17/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527146 (CHEMBL4538853) Show SMILES Cc1nc2cc(nn2c(N2CCCCCC2)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C25H32N4O3/c1-17-21(22(24(30)31)32-25(2,3)4)23(28-14-10-5-6-11-15-28)29-20(26-17)16-19(27-29)18-12-8-7-9-13-18/h7-9,12-13,16,22H,5-6,10-11,14-15H2,1-4H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527148 (CHEMBL4461955) Show SMILES Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H27N3O3/c1-16-11-13-19(14-12-16)23-22(24(25(30)31)32-26(3,4)5)17(2)27-21-15-20(28-29(21)23)18-9-7-6-8-10-18/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527153 (CHEMBL4469948) Show SMILES Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2ccnn12 Show InChI InChI=1S/C20H23N3O3/c1-12-6-8-14(9-7-12)17-16(18(19(24)25)26-20(3,4)5)13(2)22-15-10-11-21-23(15)17/h6-11,18H,1-5H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527150 (CHEMBL4541973) Show SMILES Cc1ccccc1-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 |(28.04,-23.64,;29.36,-22.86,;29.35,-21.33,;30.69,-20.54,;32.02,-21.31,;32.03,-22.85,;30.7,-23.62,;30.71,-25.15,;32.04,-25.92,;33.37,-25.14,;33.36,-23.6,;34.7,-22.83,;34.69,-21.29,;36.03,-23.59,;36.02,-22.04,;34.71,-25.91,;36.04,-25.13,;34.71,-27.45,;32.05,-27.47,;33.38,-28.23,;30.71,-28.24,;29.37,-27.47,;27.91,-27.94,;27,-26.69,;27.91,-25.46,;29.38,-25.93,;25.46,-26.7,;24.7,-25.36,;23.16,-25.36,;22.38,-26.69,;23.16,-28.03,;24.7,-28.03,)| Show InChI InChI=1S/C26H27N3O3/c1-16-11-9-10-14-19(16)23-22(24(25(30)31)32-26(3,4)5)17(2)27-21-15-20(28-29(21)23)18-12-7-6-8-13-18/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527157 (CHEMBL4452801) Show SMILES Cc1nc2cc(nn2c(-c2ccccc2)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C25H25N3O3/c1-16-21(23(24(29)30)31-25(2,3)4)22(18-13-9-6-10-14-18)28-20(26-16)15-19(27-28)17-11-7-5-8-12-17/h5-15,23H,1-4H3,(H,29,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527160 (CHEMBL4475105) Show SMILES Cc1cccc(c1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H27N3O3/c1-16-10-9-13-19(14-16)23-22(24(25(30)31)32-26(3,4)5)17(2)27-21-15-20(28-29(21)23)18-11-7-6-8-12-18/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527144 (CHEMBL4587557) Show SMILES COc1cccc(c1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-12-9-13-19(14-18)32-5)29-21(27-16)15-20(28-29)17-10-7-6-8-11-17/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527156 (CHEMBL4551451) Show SMILES Cc1ccc(Nc2c(C(OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H28N4O3/c1-16-11-13-19(14-12-16)28-24-22(23(25(31)32)33-26(3,4)5)17(2)27-21-15-20(29-30(21)24)18-9-7-6-8-10-18/h6-15,23,28H,1-5H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527151 (CHEMBL4440179) Show SMILES COc1ccccc1-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc(nn12)-c1ccccc1 |(44.98,-21.36,;46.31,-22.12,;47.63,-21.34,;47.62,-19.8,;48.95,-19.02,;50.29,-19.78,;50.3,-21.32,;48.97,-22.1,;48.98,-23.63,;50.31,-24.39,;51.64,-23.61,;51.63,-22.07,;52.96,-21.3,;52.96,-19.76,;54.3,-22.06,;54.29,-20.51,;52.98,-24.38,;54.31,-23.6,;52.98,-25.92,;50.32,-25.94,;51.65,-26.71,;48.98,-26.71,;47.64,-25.95,;46.18,-26.42,;45.27,-25.17,;46.18,-23.93,;47.65,-24.41,;43.73,-25.17,;42.97,-23.84,;41.43,-23.83,;40.65,-25.17,;41.43,-26.51,;42.97,-26.5,)| Show InChI InChI=1S/C26H27N3O4/c1-16-22(24(25(30)31)33-26(2,3)4)23(18-13-9-10-14-20(18)32-5)29-21(27-16)15-19(28-29)17-11-7-6-8-12-17/h6-15,24H,1-5H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527147 (CHEMBL4592796) Show SMILES Cc1nc2cc(nn2c(C)c1C(OC(C)(C)C)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c1-12-17(18(19(24)25)26-20(3,4)5)13(2)23-16(21-12)11-15(22-23)14-9-7-6-8-10-14/h6-11,18H,1-5H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527155 (CHEMBL4439901) Show SMILES Cc1nc2cc(nn2c(-c2cc(F)c3OCCCc3c2C)c1[C@@H](OC(C)(C)C)C(O)=O)-c1ccccc1 |r,wU:22.26,(31.63,-47.08,;30.29,-46.31,;28.96,-47.08,;27.62,-46.31,;26.16,-46.79,;25.26,-45.54,;26.16,-44.3,;27.62,-44.77,;28.95,-44,;28.94,-42.47,;30.28,-41.69,;30.27,-40.15,;31.6,-39.37,;28.93,-39.4,;28.92,-37.86,;27.58,-37.08,;26.25,-37.87,;26.25,-39.42,;27.6,-40.17,;27.61,-41.71,;26.28,-42.49,;30.29,-44.76,;31.62,-43.99,;31.61,-42.45,;32.94,-41.67,;32.94,-40.13,;34.28,-42.44,;34.27,-40.89,;32.96,-44.75,;34.29,-43.98,;32.96,-46.29,;23.71,-45.55,;22.95,-44.21,;21.41,-44.21,;20.64,-45.54,;21.41,-46.88,;22.95,-46.88,)| Show InChI InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50527159 (CHEMBL4560817) Show SMILES CC(C)(C)OC(C(O)=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C18H20O3/c1-18(2,3)21-16(17(19)20)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-12,16H,1-3H3,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273951 (CHEMBL4126165) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCCC33CCCC3)c(=O)c2O)ccc1F Show InChI InChI=1S/C21H24FN3O3/c1-13-11-14(5-6-15(13)22)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273914 (CHEMBL4126686) Show SMILES Cc1cc(F)ccc1CNC(=O)c1nc2n(CCOC2(C)C)c(=O)c1O Show InChI InChI=1S/C18H20FN3O4/c1-10-8-12(19)5-4-11(10)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273913 (CHEMBL4127663) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc1F Show InChI InChI=1S/C18H20FN3O4/c1-10-8-11(4-5-12(10)19)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273915 (CHEMBL4127891) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)c(Cl)c1)c(O)c2=O Show InChI InChI=1S/C17H17ClFN3O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-11(19)10(18)7-9/h3-4,7,23H,5-6,8H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273903 (CHEMBL4129717) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H22FN3O3/c21-14-6-4-13(5-7-14)12-22-17(26)15-16(25)18(27)24-11-3-10-20(19(24)23-15)8-1-2-9-20/h4-7,25H,1-3,8-12H2,(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042005 (CHEMBL3360113) Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273916 (CHEMBL4126289) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C17H18FN3O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-3-5-11(18)6-4-10/h3-6,22H,7-9H2,1-2H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042022 (CHEMBL3360128) Show SMILES COCCN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042007 (CHEMBL3360111) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C17H18FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-5,11,22H,6-9H2,1H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273950 (CHEMBL4128240) Show SMILES CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C21H24FN3O5S/c1-31(29,30)15-11-14(22)6-5-13(15)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042014 (CHEMBL3360121) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C19H19FN6O4/c1-25-17(12-4-5-30-8-12)24-15(16(27)19(25)29)18(28)22-7-11-2-3-13(20)6-14(11)26-10-21-9-23-26/h2-3,6,9-10,12,27H,4-5,7-8H2,1H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273948 (CHEMBL4127873) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O Show InChI InChI=1S/C24H29FN4O5S/c25-17-7-6-16(18(14-17)29-12-3-4-13-35(29,33)34)15-26-21(31)19-20(30)22(32)28-11-5-10-24(23(28)27-19)8-1-2-9-24/h6-7,14,30H,1-5,8-13,15H2,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042003 (CHEMBL3360115) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCS1 Show InChI InChI=1S/C18H20FN3O3S/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042004 (CHEMBL3360114) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCO1 Show InChI InChI=1S/C18H20FN3O4/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042032 (CHEMBL3360116) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C18H20FN3O4/c1-22-16(12-6-8-26-9-7-12)21-14(15(23)18(22)25)17(24)20-10-11-2-4-13(19)5-3-11/h2-5,12,23H,6-10H2,1H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273965 (CHEMBL4127923) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOCC1)c(O)c2=O Show InChI InChI=1S/C21H25FN4O5/c1-21(2)20-24-16(17(27)19(29)26(20)7-10-31-21)18(28)23-12-13-3-4-14(22)11-15(13)25-5-8-30-9-6-25/h3-4,11,27H,5-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042017 (CHEMBL3360124) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042006 (CHEMBL3360112) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCC1O Show InChI InChI=1S/C17H18FN3O5/c1-21-15(11-7-26-8-12(11)22)20-13(14(23)17(21)25)16(24)19-6-9-2-4-10(18)5-3-9/h2-5,11-12,22-23H,6-8H2,1H3,(H,19,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273963 (CHEMBL4128890) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1S(C)(=O)=O)c(O)c2=O Show InChI InChI=1S/C18H20FN3O6S/c1-18(2)17-21-13(14(23)16(25)22(17)6-7-28-18)15(24)20-9-10-4-5-11(19)8-12(10)29(3,26)27/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042021 (CHEMBL3360127) Show SMILES CN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042026 (CHEMBL3360132) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C20H21FN6O4/c1-26-18(12-4-6-31-7-5-12)25-16(17(28)20(26)30)19(29)23-9-13-2-3-14(21)8-15(13)27-11-22-10-24-27/h2-3,8,10-12,28H,4-7,9H2,1H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042031 (CHEMBL3360137) Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O Show InChI InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042027 (CHEMBL3360133) Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-12-24-11-25-28(12)16-9-15(22)4-3-14(16)10-23-20(30)17-18(29)21(31)27(2)19(26-17)13-5-7-32-8-6-13/h3-4,9,11,13,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042023 (CHEMBL3360129) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C19H22FN3O6S/c1-23-17(11-5-7-29-8-6-11)22-15(16(24)19(23)26)18(25)21-10-12-3-4-13(20)9-14(12)30(2,27)28/h3-4,9,11,24H,5-8,10H2,1-2H3,(H,21,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273952 (CHEMBL4130102) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O)c(O)c2=O Show InChI InChI=1S/C21H25FN4O6S/c1-21(2)20-24-16(17(27)19(29)25(20)8-9-32-21)18(28)23-12-13-5-6-14(22)11-15(13)26-7-3-4-10-33(26,30)31/h5-6,11,27H,3-4,7-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042029 (CHEMBL3360135) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-27-18(12-5-7-32-8-6-12)26-16(17(29)21(27)31)20(30)23-10-13-3-4-14(22)9-15(13)19-24-11-25-28(19)2/h3-4,9,11-12,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042011 (CHEMBL3360118) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C18H20FN3O6S/c1-22-16(11-5-6-28-9-11)21-14(15(23)18(22)25)17(24)20-8-10-3-4-12(19)7-13(10)29(2,26)27/h3-4,7,11,23H,5-6,8-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042013 (CHEMBL3360120) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C21H25FN4O6S/c1-25-19(14-6-8-32-12-14)24-17(18(27)21(25)29)20(28)23-11-13-4-5-15(22)10-16(13)26-7-2-3-9-33(26,30)31/h4-5,10,14,27H,2-3,6-9,11-12H2,1H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair

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