Compile Data Set for Download or QSAR

Found 524 hits with Last Name = 'tran' and Initial = 'o'   

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-7 (Mus musculus)	BDBM50096713 (1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...) Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50096711 (CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...) Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)| Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50056272 ((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50034503 ((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...) Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50079183 ((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...) Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50096713 (1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...) Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50053588 ((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...) Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM50545752 (CHEMBL4646356) Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM115093 ((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50096711 (CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...) Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)| Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM50286804 ((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-1-beta-1-gamma delta nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50053588 ((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...) Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50079183 ((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...) Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286545 (3-Benzenesulfonyl-5-chloro-2-(1H-imidazol-2-yl)-1H...) Show SMILES Clc1ccc2[nH]c(-c3ncc[nH]3)c(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50230553 (3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...) Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286549 (3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...) Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286550 (3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-1H-imida...) Show SMILES Clc1ccc2[nH]c(C3=NCCN3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7| Show InChI InChI=1S/C17H14ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-7,10,21H,8-9H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286551 (2-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4,5,6...) Show SMILES Clc1ccc2[nH]c(-c3nc4CCCCc4[nH]3)c(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2S/c22-13-10-11-16-15(12-13)20(28(26,27)14-6-2-1-3-7-14)19(23-16)21-24-17-8-4-5-9-18(17)25-21/h1-3,6-7,10-12,23H,4-5,8-9H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50230553 (3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...) Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286543 (3-Benzenesulfonyl-5-chloro-2-(4-methyl-5-propyl-1H...) Show SMILES CCCc1[nH]c(nc1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20ClN3O2S/c1-3-7-17-13(2)23-21(25-17)19-20(16-12-14(22)10-11-18(16)24-19)28(26,27)15-8-5-4-6-9-15/h4-6,8-12,24H,3,7H2,1-2H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286548 (3-Benzenesulfonyl-5-chloro-2-(4,5-diethyl-1H-imida...) Show SMILES CCc1nc([nH]c1CC)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20ClN3O2S/c1-3-16-17(4-2)25-21(24-16)19-20(15-12-13(22)10-11-18(15)23-19)28(26,27)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286542 (3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-thiazol-...) Show SMILES Clc1ccc2[nH]c(C3=NCCS3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7| Show InChI InChI=1S/C17H13ClN2O2S2/c18-11-6-7-14-13(10-11)16(15(20-14)17-19-8-9-23-17)24(21,22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286546 (4-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4H-1l...) Show SMILES Nc1nc(cs1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H12ClN3O2S2/c18-10-6-7-13-12(8-10)16(15(20-13)14-9-24-17(19)21-14)25(22,23)11-4-2-1-3-5-11/h1-9,20H,(H2,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50286549 (3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...) Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-2 reverse transcriptase				Bioorg Med Chem Lett 5: 491-496 (1995) Article DOI: 10.1016/0960-894X(95)00059-3 BindingDB Entry DOI: 10.7270/Q28052KF
					More data for this Ligand-Target Pair

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