Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'karpoormath' and Initial = 'r'   

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))	BDBM50232182 (CHEMBL4097327) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O/c1-6-17(7-2)20(26)13-19-21(18-10-8-14(3)9-11-18)24-25-16(5)12-15(4)23-22(19)25/h8-12,17H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50087713 ((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)| Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232188 (CHEMBL4070141) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O/c1-5-15(6-2)19(26)12-18-20(16-7-9-17(22)10-8-16)24-25-14(4)11-13(3)23-21(18)25/h7-11,15H,5-6,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232179 (CHEMBL4105538) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(C)cc1Cl |(40.46,-5.09,;39.13,-5.86,;39.13,-7.4,;40.46,-8.17,;41.79,-7.4,;37.79,-8.17,;37.79,-9.71,;36.46,-10.48,;36.46,-12.02,;35.13,-12.8,;37.79,-12.79,;39.12,-12.03,;40.59,-12.5,;41.49,-11.26,;43.03,-11.26,;40.59,-10.01,;39.12,-10.48,;41.06,-13.97,;40.03,-15.1,;40.5,-16.57,;42.01,-16.89,;42.49,-18.35,;43.04,-15.73,;42.56,-14.28,;43.59,-13.12,)| Show InChI InChI=1S/C20H25ClN4/c1-6-15(7-2)23-18-11-13(4)22-20-19(14(5)24-25(18)20)16-9-8-12(3)10-17(16)21/h8-11,15,23H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232182 (CHEMBL4097327) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O/c1-6-17(7-2)20(26)13-19-21(18-10-8-14(3)9-11-18)24-25-16(5)12-15(4)23-22(19)25/h8-12,17H,6-7,13H2,1-5H3	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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232178 (CHEMBL4081285) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1C |(28.23,-5.21,;26.9,-5.98,;26.9,-7.52,;28.23,-8.29,;29.57,-7.52,;25.56,-8.29,;25.56,-9.83,;24.24,-10.61,;24.24,-12.15,;22.9,-12.92,;25.56,-12.91,;26.89,-12.15,;28.36,-12.63,;29.27,-11.38,;30.81,-11.38,;28.36,-10.13,;26.89,-10.61,;28.84,-14.09,;27.8,-15.23,;28.28,-16.69,;29.78,-17.01,;30.26,-18.48,;30.82,-15.86,;30.34,-14.4,;31.36,-13.25,)| Show InChI InChI=1S/C20H25ClN4/c1-6-16(7-2)23-18-11-13(4)22-20-19(14(5)24-25(18)20)17-9-8-15(21)10-12(17)3/h8-11,16,23H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116095 (CHEMBL293228 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(.02,4.59,;-1.31,3.8,;-1.3,2.26,;-2.64,1.49,;-3.97,2.26,;-3.98,3.8,;-5.31,4.57,;-2.63,-.05,;-3.96,-.82,;-3.96,-2.36,;-5.3,-3.13,;-2.63,-3.13,;-1.3,-2.36,;.17,-2.85,;.66,-4.32,;-.37,-5.44,;.1,-6.91,;1.61,-7.24,;2.08,-8.7,;2.64,-6.07,;2.15,-4.63,;3.18,-3.48,;1.1,-1.59,;2.64,-1.59,;.17,-.33,;-1.3,-.82,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-26(10-6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-8-7-13(20)11-15(14)21/h7-8,11H,5-6,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116123 (Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyr...) Show SMILES CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(3.45,-.61,;2.12,.16,;.78,-.61,;-.55,.16,;-1.88,-.61,;-3.2,.14,;-4.54,-.63,;-1.88,-2.15,;-3.2,-2.93,;-3.2,-4.47,;-4.53,-5.24,;-1.88,-5.24,;-.54,-4.47,;.93,-4.94,;1.4,-6.41,;.38,-7.54,;.85,-9.01,;2.36,-9.32,;2.82,-10.79,;3.38,-8.16,;2.91,-6.71,;3.92,-5.57,;1.85,-3.69,;3.38,-3.69,;.93,-2.44,;-.54,-2.92,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-26(6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-9-8-13(20)11-15(14)21/h8-9,11H,5-7,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232191 (CHEMBL4089611) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232188 (CHEMBL4070141) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O/c1-5-15(6-2)19(26)12-18-20(16-7-9-17(22)10-8-16)24-25-14(4)11-13(3)23-21(18)25/h7-11,15H,5-6,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232191 (CHEMBL4089611) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232201 (CHEMBL4099753) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-17(3)15-23(28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116093 (CHEMBL304335 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(2.41,-.08,;1.07,-.85,;-.26,-.08,;-1.6,-.85,;-2.93,-.09,;-4.25,-.86,;-1.58,-2.38,;-2.91,-3.17,;-2.91,-4.7,;-4.25,-5.47,;-1.58,-5.47,;-.25,-4.7,;1.22,-5.18,;1.7,-6.64,;.66,-7.78,;1.14,-9.24,;2.64,-9.55,;3.12,-11.02,;3.66,-8.39,;3.2,-6.94,;4.2,-5.8,;2.13,-3.92,;3.66,-3.92,;1.22,-2.68,;-.25,-3.15,)| Show InChI InChI=1S/C18H21Cl2N5/c1-5-9-25(6-2)18-16-15(21-11(3)22-18)17(24(4)23-16)13-8-7-12(19)10-14(13)20/h7-8,10H,5-6,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116118 (CHEMBL304272 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-7.47,-.08,;-6.12,-.85,;-4.79,-1.61,;-3.46,-.84,;-2.14,-1.59,;-.79,-.82,;.54,-1.59,;1.87,-.82,;3.19,-.05,;-2.12,-3.13,;-3.45,-3.91,;-3.45,-5.45,;-4.79,-6.22,;-2.12,-6.22,;-.78,-5.45,;.68,-5.92,;1.16,-7.39,;.12,-8.53,;.61,-9.99,;2.1,-10.3,;2.59,-11.77,;3.13,-9.16,;2.66,-7.7,;3.68,-6.55,;1.59,-4.67,;3.13,-4.67,;.68,-3.42,;-.78,-3.9,)| Show InChI InChI=1S/C19H23Cl2N5O2/c1-12-22-16-17(19(23-12)26(7-9-27-3)8-10-28-4)24-25(2)18(16)14-6-5-13(20)11-15(14)21/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232190 (CHEMBL4061482) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-16(7-2)20(26)13-19-21(17-8-10-18(27-5)11-9-17)24-25-15(4)12-14(3)23-22(19)25/h8-12,16H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232201 (CHEMBL4099753) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-17(3)15-23(28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232190 (CHEMBL4061482) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-16(7-2)20(26)13-19-21(17-8-10-18(27-5)11-9-17)24-25-15(4)12-14(3)23-22(19)25/h8-12,16H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232183 (CHEMBL4097805) Show SMILES CCCCN(CC)c1cc(C)nc2c(c(CCCC)nn12)-c1ccc(Cl)cc1Cl |(7.21,-2.04,;7.21,-3.58,;8.54,-4.35,;8.54,-5.89,;9.88,-6.66,;11.21,-5.89,;11.21,-4.35,;9.88,-8.2,;8.55,-8.98,;8.55,-10.52,;7.22,-11.29,;9.88,-11.28,;11.21,-10.52,;12.67,-10.99,;13.58,-9.75,;15.12,-9.75,;15.89,-11.08,;17.43,-11.08,;18.2,-12.41,;12.67,-8.5,;11.21,-8.98,;13.15,-12.46,;12.11,-13.59,;12.59,-15.06,;14.1,-15.38,;14.57,-16.84,;15.13,-14.23,;14.65,-12.77,;15.67,-11.62,)| Show InChI InChI=1S/C23H30Cl2N4/c1-5-8-10-20-22(18-12-11-17(24)15-19(18)25)23-26-16(4)14-21(29(23)27-20)28(7-3)13-9-6-2/h11-12,14-15H,5-10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I]o-CRF from recombinant human CRF1 receptor expressed in CHO cells				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (Rattus norvegicus)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha3 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (Rattus norvegicus)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha3 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123830 (4,5-dibromo-N'-(4-chlorobenzylidene)-1-methyl-...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2ClN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123825 (4,5-dibromo-N'-[(4-fluorophenyl)methylidene]-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(F)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2FN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123833 (4,5-dibromo-N'-(2,4-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-9(14)12(20)15)13(21)19-18-6-7-2-3-8(16)4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123832 (4,5-dibromo-N'-(4-methoxybenzylidene)-1-methyl...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1 |w:7.7| Show InChI InChI=1S/C14H13Br2N3O2/c1-19-12(7-11(15)13(19)16)14(20)18-17-8-9-3-5-10(21-2)6-4-9/h3-8H,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	-32.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123823 (4,5-dibromo-N'-[(2,4-dichlorophenyl)methyliden...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-8-4-10(18-11(8)14)12(20)19-17-5-6-1-2-7(15)3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123831 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1-me...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1OC |w:7.7| Show InChI InChI=1S/C15H15Br2N3O3/c1-20-11(7-10(16)14(20)17)15(21)19-18-8-9-4-5-12(22-2)13(6-9)23-3/h4-8H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123820 (4,5-dibromo-N'-[(4-chlorophenyl)methylidene]-1...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2ClN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123828 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-8(14)12(20)15)13(21)19-18-6-7-9(16)3-2-4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123824 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccccc1O |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-10(6-9(14)12(18)15)13(20)17-16-7-8-4-2-3-5-11(8)19/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123815 (4,5-dibromo-N'-(4-fluorobenzylidene)-1H-pyrrol...) Show SMILES Fc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2FN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123818 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1Hpyr...) Show SMILES Clc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:9.10| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-7-4-10(18-11(7)14)12(20)19-17-5-6-8(15)2-1-3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123829 (4,5-dibromo-N'-(3,4-dihydroxybenzylidene)-1-me...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O3/c1-18-9(5-8(14)12(18)15)13(21)17-16-6-7-2-3-10(19)11(20)4-7/h2-6,19-20H,1H3,(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	-31.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123822 (4,5-dibromo-N'-(4-methoxybenzylidene)-1Hpyrrol...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:7.7| Show InChI InChI=1S/C13H11Br2N3O2/c1-20-9-4-2-8(3-5-9)7-16-18-13(19)11-6-10(14)12(15)17-11/h2-7,17H,1H3,(H,18,19)/b16-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.55E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123826 (4,5-dibromo-1-methyl-N'-(4-nitrobenzylidene)-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O |w:11.11| Show InChI InChI=1S/C13H10Br2N4O3/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(5-3-8)19(21)22/h2-7H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123827 (4,5-dibromo-N'-(4-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)cc1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(19)5-3-8/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123814 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1H-pyrro...) Show SMILES Oc1ccccc1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:8.9| Show InChI InChI=1S/C12H9Br2N3O2/c13-8-5-9(16-11(8)14)12(19)17-15-6-7-3-1-2-4-10(7)18/h1-6,16,18H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123823 (4,5-dibromo-N'-[(2,4-dichlorophenyl)methyliden...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-8-4-10(18-11(8)14)12(20)19-17-5-6-1-2-7(15)3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123821 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1Hpy...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1OC |w:7.7| Show InChI InChI=1S/C14H13Br2N3O3/c1-21-11-4-3-8(5-12(11)22-2)7-17-19-14(20)10-6-9(15)13(16)18-10/h3-7,18H,1-2H3,(H,19,20)/b17-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	-29.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123828 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-8(14)12(20)15)13(21)19-18-6-7-9(16)3-2-4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123820 (4,5-dibromo-N'-[(4-chlorophenyl)methylidene]-1...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2ClN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	-29.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123833 (4,5-dibromo-N'-(2,4-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-9(14)12(20)15)13(21)19-18-6-7-2-3-8(16)4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+4	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair

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