Compile Data Set for Download or QSAR

Found 775 hits with Last Name = 'sbardella' and Initial = 'g'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50011484 (CHEMBL3261894) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011498 (CHEMBL3261908) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C24H19ClN2O/c1-27(16-17-9-3-2-4-10-17)24(28)22-15-18-11-5-6-12-19(18)23(26-22)20-13-7-8-14-21(20)25/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011495 (CHEMBL3261905) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C25H22ClN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011494 (CHEMBL3261904) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C25H22FN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388407 (CHEMBL2058825) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C27H35N3O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)26-28-24-19-13-12-18-23(24)25(29-26)22-16-10-9-11-17-22/h9-13,16-19H,3-8,14-15,20-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011486 (CHEMBL3261896) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.762	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011483 (CHEMBL3261893) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011481 (CHEMBL3261891) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O/c1-2-27(17-18-11-5-3-6-12-18)24(28)23-25-21-16-10-9-15-20(21)22(26-23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011497 (CHEMBL3261907) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C23H18FN3O/c1-27(15-16-9-3-2-4-10-16)23(28)22-25-20-14-8-6-12-18(20)21(26-22)17-11-5-7-13-19(17)24/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011487 (CHEMBL3261897) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-9-5-4-6-10-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-15-13-18(2)14-16-20/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388424 (CHEMBL2059062) Show SMILES CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388426 (CHEMBL2059064) Show SMILES CC[C@@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011485 (CHEMBL3261895) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388423 (CHEMBL2059061) Show SMILES CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388406 (CHEMBL2058824) Show SMILES CCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H31N3O/c1-3-5-12-18-28(19-13-6-4-2)25(29)24-26-22-17-11-10-16-21(22)23(27-24)20-14-8-7-9-15-20/h7-11,14-17H,3-6,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50110715 (5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...) Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone				J Med Chem 45: 1180-3 (2002) BindingDB Entry DOI: 10.7270/Q28W3F11
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388425 (CHEMBL2059063) Show SMILES CC[C@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011488 (CHEMBL3261898) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-15-13-18(2)14-16-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-9-5-4-6-10-20/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388413 (CHEMBL2059048) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011489 (CHEMBL3261899) Show SMILES CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477178 (CHEMBL239063) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCOCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388401 (CHEMBL2058819) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388408 (CHEMBL2059040) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388405 (CHEMBL2058823) Show SMILES CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C23H27N3O/c1-3-5-16-26(17-6-4-2)23(27)22-24-20-15-11-10-14-19(20)21(25-22)18-12-8-7-9-13-18/h7-15H,3-6,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388417 (CHEMBL2059051) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C27H34ClN3O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)26-29-24-14-10-9-13-23(24)25(30-26)21-15-17-22(28)18-16-21/h9-10,13-18H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50526221 (CHEMBL4454542) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(CN=C2NC1CCN(CC1)C(C)C)C1CCCCC1 |c:19,22| Show InChI InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M.D. Anderson Cancer Center Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate after 30 mins in presence of va...				J Med Chem 62: 2666-2689 (2019) Article DOI: 10.1021/acs.jmedchem.8b02008 BindingDB Entry DOI: 10.7270/Q2280C10
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011492 (CHEMBL3261902) Show SMILES CCOC(=O)c1ccc(CN(CC)C(=O)c2nc(-c3ccccc3)c3ccccc3n2)cc1 Show InChI InChI=1S/C27H25N3O3/c1-3-30(18-19-14-16-21(17-15-19)27(32)33-4-2)26(31)25-28-23-13-9-8-12-22(23)24(29-25)20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011496 (CHEMBL3261906) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C23H19N3O/c1-26(16-17-10-4-2-5-11-17)23(27)22-24-20-15-9-8-14-19(20)21(25-22)18-12-6-3-7-13-18/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011491 (CHEMBL3261901) Show SMILES CCN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H20N4O3/c1-2-27(16-17-12-14-19(15-13-17)28(30)31)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388420 (CHEMBL2059055) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C27H33Cl2N3O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)26-30-24-16-15-22(29)19-23(24)25(31-26)20-11-13-21(28)14-12-20/h11-16,19H,3-10,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50110719 (5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...) Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1 Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone				J Med Chem 45: 1180-3 (2002) BindingDB Entry DOI: 10.7270/Q28W3F11
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) Show SMILES CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F Show InChI InChI=1S/C18H20F2N2OS/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(23)22-18(21-16)24-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388421 (CHEMBL2059059) Show SMILES CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011499 (CHEMBL3261909) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H18ClN3O/c1-27(15-16-7-3-2-4-8-16)23(28)22-25-20-10-6-5-9-19(20)21(26-22)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388422 (CHEMBL2059060) Show SMILES CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388409 (CHEMBL2059041) Show SMILES CC(C)CN(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C20H20ClN3O/c1-13(2)12-24(3)20(25)19-22-17-11-7-5-9-15(17)18(23-19)14-8-4-6-10-16(14)21/h4-11,13H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477201 (CHEMBL394990) Show SMILES CCCN(C)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-4-8-21(3)16-19-14(10(2)15(22)20-16)9-11-12(17)6-5-7-13(11)18/h5-7H,4,8-9H2,1-3H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388399 (CHEMBL2059046) Show SMILES Clc1ccccc1-c1nc(nc2ccccc12)C(=O)N1CCCCCC1 Show InChI InChI=1S/C21H20ClN3O/c22-17-11-5-3-9-15(17)19-16-10-4-6-12-18(16)23-20(24-19)21(26)25-13-7-1-2-8-14-25/h3-6,9-12H,1-2,7-8,13-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011490 (CHEMBL3261900) Show SMILES CCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O2/c1-2-27(16-17-12-14-19(28)15-13-17)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15,28H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477179 (CHEMBL399016) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H21F2N5O/c1-14-18(13-15-16(22)5-4-6-17(15)23)25-21(26-20(14)29)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8H,9-13H2,1H3,(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477179 (CHEMBL399016) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H21F2N5O/c1-14-18(13-15-16(22)5-4-6-17(15)23)25-21(26-20(14)29)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8H,9-13H2,1H3,(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477199 (CHEMBL239342) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F Show InChI InChI=1S/C18H21F2N3O/c1-11(15-13(19)7-6-8-14(15)20)16-12(2)17(24)22-18(21-16)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388410 (CHEMBL2059042) Show SMILES CC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C19H18ClN3O/c1-12(2)23(3)19(24)18-21-16-11-7-5-9-14(16)17(22-18)13-8-4-6-10-15(13)20/h4-12H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50526221 (CHEMBL4454542) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(CN=C2NC1CCN(CC1)C(C)C)C1CCCCC1 |c:19,22| Show InChI InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M.D. Anderson Cancer Center Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate at varying concentration af...				J Med Chem 62: 2666-2689 (2019) Article DOI: 10.1021/acs.jmedchem.8b02008 BindingDB Entry DOI: 10.7270/Q2280C10
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114410 BindingDB Entry DOI: 10.7270/Q2C53QW7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477199 (CHEMBL239342) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F Show InChI InChI=1S/C18H21F2N3O/c1-11(15-13(19)7-6-8-14(15)20)16-12(2)17(24)22-18(21-16)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477198 (CHEMBL239064) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCSCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3OS/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair

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