Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'brown' and Initial = 'kw'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50170870 (CHEMBL3805182) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170867 (CHEMBL3806067) Show SMILES [H][C@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170867 (CHEMBL3806067) Show SMILES [H][C@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170591 (CHEMBL2403116) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CCCO2 |r| Show InChI InChI=1S/C19H18FN3O5/c20-12-4-2-11(3-5-12)8-21-18(26)13-9-22-10-14-23(6-1-7-28-14)19(27)15(22)17(25)16(13)24/h2-5,9,14,25H,1,6-8,10H2,(H,21,26)/t14-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170870 (CHEMBL3805182) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170604 (CHEMBL3805585) Show SMILES Oc1c2C(=O)N3CCCN3Cc2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C22H16ClFN4O2/c23-17-4-1-3-13(19(17)24)7-12-8-14-15(9-25)16-11-27-5-2-6-28(27)22(30)18(16)21(29)20(14)26-10-12/h1,3-4,8,10,29H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50483553 (CHEBI:76007 | Dolutegravir Sodium | GSK1349572 | G...) Show SMILES [Na;v0+].[H][C@]12[#6]-n3cc(-[#6](=O)-[#7]-[#6]-c4ccc(F)cc4F)c(=O)c(-[#8-])c3-[#6](=O)-[#7]1-[#6@H](-[#6])-[#6]-[#6]-[#8]2 |r| Show InChI InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045107 (CHEMBL1256978 | GSK364735) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170865 (CHEMBL3805145) Show SMILES [H][C@@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C(N)=O)c1C2 |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-16-5-1-3-12(19(16)25)7-11-8-15-17(22(26)30)14-9-13-4-2-6-28(13)23(31)18(14)21(29)20(15)27-10-11/h1,3,5,8,10,13,29H,2,4,6-7,9H2,(H2,26,30)/t13-/m0/s1	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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480673 (Isentress | Isentress hd | MK-0518 | MK-0518 POTAS...) Show SMILES [K;v0+].[#6]-c1nnc(o1)-[#6](=O)-[#7]C([#6])([#6])c1nc(-[#6](=O)-[#7]-[#6]-c2ccc(F)cc2)c(-[#8-])c(=O)n1-[#6] Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)/p-1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170819 (CHEMBL3805531) Show SMILES [H][C@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170607 (CHEMBL3805498) Show SMILES [H][C@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C#N)c1C2 |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-18-5-1-3-13(20(18)25)7-12-8-16-17(10-26)15-9-14-4-2-6-28(14)23(30)19(15)22(29)21(16)27-11-12/h1,3,5,8,11,14,29H,2,4,6-7,9H2/t14-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170864 (CHEMBL3805726) Show SMILES [H][C@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C(N)=O)c1C2 |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-16-5-1-3-12(19(16)25)7-11-8-15-17(22(26)30)14-9-13-4-2-6-28(13)23(31)18(14)21(29)20(15)27-10-11/h1,3,5,8,10,13,29H,2,4,6-7,9H2,(H2,26,30)/t13-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170835 (CHEMBL3804966) Show SMILES [H][C@@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170725 (CHEMBL3805132) Show SMILES [H][C@@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C#N)c1C2 |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-18-5-1-3-13(20(18)25)7-12-8-16-17(10-26)15-9-14-4-2-6-28(14)23(30)19(15)22(29)21(16)27-11-12/h1,3,5,8,11,14,29H,2,4,6-7,9H2/t14-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170772 (CHEMBL3805269) Show SMILES [H][C@]12CCCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-16-5-3-4-13(20(16)25)8-12-9-14-15(10-26)18-17-6-1-2-7-28(17)23(30)19(18)22(29)21(14)27-11-12/h3-5,9,11,17,29H,1-2,6-8H2/t17-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170865 (CHEMBL3805145) Show SMILES [H][C@@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C(N)=O)c1C2 |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-16-5-1-3-12(19(16)25)7-11-8-15-17(22(26)30)14-9-13-4-2-6-28(13)23(31)18(14)21(29)20(15)27-10-11/h1,3,5,8,10,13,29H,2,4,6-7,9H2,(H2,26,30)/t13-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170596 (CHEMBL3805532) Show SMILES Oc1c2C(=O)N3CCCN3Cc2cc2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C21H17ClFN3O2/c22-16-4-1-3-13(18(16)23)7-12-8-14-9-15-11-25-5-2-6-26(25)21(28)17(15)20(27)19(14)24-10-12/h1,3-4,8-10,27H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170778 (CHEMBL3806308) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-16-5-3-4-13(20(16)25)8-12-9-14-15(10-26)18-17-6-1-2-7-28(17)23(30)19(18)22(29)21(14)27-11-12/h3-5,9,11,17,29H,1-2,6-8H2/t17-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170864 (CHEMBL3805726) Show SMILES [H][C@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C(N)=O)c1C2 |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-16-5-1-3-12(19(16)25)7-11-8-15-17(22(26)30)14-9-13-4-2-6-28(13)23(31)18(14)21(29)20(15)27-10-11/h1,3,5,8,10,13,29H,2,4,6-7,9H2,(H2,26,30)/t13-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170725 (CHEMBL3805132) Show SMILES [H][C@@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C#N)c1C2 |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-18-5-1-3-13(20(18)25)7-12-8-16-17(10-26)15-9-14-4-2-6-28(14)23(30)19(15)22(29)21(16)27-11-12/h1,3,5,8,11,14,29H,2,4,6-7,9H2/t14-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170596 (CHEMBL3805532) Show SMILES Oc1c2C(=O)N3CCCN3Cc2cc2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C21H17ClFN3O2/c22-16-4-1-3-13(18(16)23)7-12-8-14-9-15-11-25-5-2-6-26(25)21(28)17(15)20(27)19(14)24-10-12/h1,3-4,8-10,27H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50269061 ((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...) Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r| Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170819 (CHEMBL3805531) Show SMILES [H][C@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170604 (CHEMBL3805585) Show SMILES Oc1c2C(=O)N3CCCN3Cc2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C22H16ClFN4O2/c23-17-4-1-3-13(19(17)24)7-12-8-14-15(9-25)16-11-27-5-2-6-28(27)22(30)18(16)21(29)20(14)26-10-12/h1,3-4,8,10,29H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170772 (CHEMBL3805269) Show SMILES [H][C@]12CCCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-16-5-3-4-13(20(16)25)8-12-9-14-15(10-26)18-17-6-1-2-7-28(17)23(30)19(18)22(29)21(14)27-11-12/h3-5,9,11,17,29H,1-2,6-8H2/t17-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170778 (CHEMBL3806308) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-16-5-3-4-13(20(16)25)8-12-9-14-15(10-26)18-17-6-1-2-7-28(17)23(30)19(18)22(29)21(14)27-11-12/h3-5,9,11,17,29H,1-2,6-8H2/t17-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50269061 ((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...) Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r| Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170835 (CHEMBL3804966) Show SMILES [H][C@@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170607 (CHEMBL3805498) Show SMILES [H][C@]12CCCN1C(=O)c1c(O)c3ncc(Cc4cccc(Cl)c4F)cc3c(C#N)c1C2 |r| Show InChI InChI=1S/C23H17ClFN3O2/c24-18-5-1-3-13(20(18)25)7-12-8-16-17(10-26)15-9-14-4-2-6-28(14)23(30)19(15)22(29)21(16)27-11-12/h1,3,5,8,11,14,29H,2,4,6-7,9H2/t14-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50295257 ((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...) Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50295256 ((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...) Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50295257 ((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...) Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50295256 ((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...) Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50295255 (6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...) Show SMILES Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1 Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50295255 (6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...) Show SMILES Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1 Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4110-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.001 BindingDB Entry DOI: 10.7270/Q27944RX
					More data for this Ligand-Target Pair