Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'rullo' and Initial = 'm'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585934 (CHEMBL5082824) Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant MAO-B expressed in supersomes using kynuramine as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50585934 (CHEMBL5082824) Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human AChE by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585934 (CHEMBL5082824) Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585935 (CHEMBL5090153) Show SMILES CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585930 (CHEMBL3586771) Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585923 (CHEMBL5083014) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(F)c4)C3)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant AChE by Ellman's spectrophotometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506798 (CHEMBL4580662) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12 Show InChI InChI=1S/C25H29NO4/c1-17-18(2)25(28)30-24-13-22(7-8-23(17)24)29-16-21-9-11-26(12-10-21)14-19-3-5-20(15-27)6-4-19/h3-8,13,21,27H,9-12,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50532731 (CHEMBL4571763) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12 Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506798 (CHEMBL4580662) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12 Show InChI InChI=1S/C25H29NO4/c1-17-18(2)25(28)30-24-13-22(7-8-23(17)24)29-16-21-9-11-26(12-10-21)14-19-3-5-20(15-27)6-4-19/h3-8,13,21,27H,9-12,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506794 (CHEMBL4459482) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO[N+]([O-])=O)c4)CC3)ccc12 Show InChI InChI=1S/C25H28N2O6/c1-17-18(2)25(28)33-24-13-22(6-7-23(17)24)31-15-19-8-10-26(11-9-19)14-20-4-3-5-21(12-20)16-32-27(29)30/h3-7,12-13,19H,8-11,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506804 (CHEMBL4539578) Show SMILES CN(C)Cc1cccc(COc2ccc3c(CO)cc(=O)oc3c2)c1 Show InChI InChI=1S/C20H21NO4/c1-21(2)11-14-4-3-5-15(8-14)13-24-17-6-7-18-16(12-22)9-20(23)25-19(18)10-17/h3-10,22H,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248715 ((E)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506896 (CHEMBL4592250) Show SMILES COc1cc2CCN(CCCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C27H33NO5/c1-18-19(2)27(29)33-24-16-22(8-9-23(18)24)32-13-7-5-6-11-28-12-10-20-14-25(30-3)26(31-4)15-21(20)17-28/h8-9,14-16H,5-7,10-13,17H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585927 (CHEMBL5081663) Show SMILES CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506795 (CHEMBL4457458) Show SMILES CN(C)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C20H21NO4/c1-21(2)11-14-3-5-15(6-4-14)13-24-17-7-8-18-16(12-22)9-20(23)25-19(18)10-17/h3-10,22H,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506806 (CHEMBL4450310) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(CO)cc4)C3)ccc12 Show InChI InChI=1S/C25H29NO4/c1-17-18(2)25(28)30-24-12-22(9-10-23(17)24)29-16-21-4-3-11-26(14-21)13-19-5-7-20(15-27)8-6-19/h5-10,12,21,27H,3-4,11,13-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506793 (CHEMBL4450045) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO)c4)CC3)ccc12 Show InChI InChI=1S/C25H29NO4/c1-17-18(2)25(28)30-24-13-22(6-7-23(17)24)29-16-19-8-10-26(11-9-19)14-20-4-3-5-21(12-20)15-27/h3-7,12-13,19,27H,8-11,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506795 (CHEMBL4457458) Show SMILES CN(C)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C20H21NO4/c1-21(2)11-14-3-5-15(6-4-14)13-24-17-7-8-18-16(12-22)9-20(23)25-19(18)10-17/h3-10,22H,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50589563 (CHEMBL5183930) Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50589563 (CHEMBL5183930) Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585931 (CHEMBL4598256) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506796 (CHEMBL4551962) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(CO)c4)C3)ccc12 Show InChI InChI=1S/C25H29NO4/c1-17-18(2)25(28)30-24-12-22(8-9-23(17)24)29-16-21-7-4-10-26(14-21)13-19-5-3-6-20(11-19)15-27/h3,5-6,8-9,11-12,21,27H,4,7,10,13-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50589560 (CHEMBL5207442) Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)ccc3C2=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50585930 (CHEMBL3586771) Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant AChE by Ellman's spectrophotometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506791 (CHEMBL4550762) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CCO)cc4)CC3)ccc12 Show InChI InChI=1S/C26H31NO4/c1-18-19(2)26(29)31-25-15-23(7-8-24(18)25)30-17-22-9-12-27(13-10-22)16-21-5-3-20(4-6-21)11-14-28/h3-8,15,22,28H,9-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585936 (CHEMBL5083613) Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585926 (CHEMBL5085674) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585925 (CHEMBL5090504) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(F)c4)CC3)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506884 (CHEMBL4476238) Show SMILES COc1cc2CCN(CCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C26H31NO5/c1-17-18(2)26(28)32-23-15-21(7-8-22(17)23)31-12-6-5-10-27-11-9-19-13-24(29-3)25(30-4)14-20(19)16-27/h7-8,13-15H,5-6,9-12,16H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506887 (CHEMBL4473596) Show SMILES COc1cc2CCN(Cc3cccc(COc4ccc5c(C)c(C)c(=O)oc5c4)c3)Cc2cc1OC Show InChI InChI=1S/C30H31NO5/c1-19-20(2)30(32)36-27-15-25(8-9-26(19)27)35-18-22-7-5-6-21(12-22)16-31-11-10-23-13-28(33-3)29(34-4)14-24(23)17-31/h5-9,12-15H,10-11,16-18H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506889 (CHEMBL4539336) Show SMILES COc1cc2CCN(Cc3ccccc3COc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C30H31NO5/c1-19-20(2)30(32)36-27-15-25(9-10-26(19)27)35-18-23-8-6-5-7-22(23)16-31-12-11-21-13-28(33-3)29(34-4)14-24(21)17-31/h5-10,13-15H,11-12,16-18H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50585933 (CHEMBL5078658) Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50506807 (CHEMBL4470448) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(OCCCO)c4)CC3)ccc12 Show InChI InChI=1S/C27H33NO5/c1-19-20(2)27(30)33-26-16-24(7-8-25(19)26)32-18-21-9-11-28(12-10-21)17-22-5-3-6-23(15-22)31-14-4-13-29/h3,5-8,15-16,21,29H,4,9-14,17-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506879 (CHEMBL4462737) Show SMILES COc1cc2CCN(CCc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C31H33NO5/c1-20-21(2)31(33)37-28-17-26(9-10-27(20)28)36-19-23-7-5-22(6-8-23)11-13-32-14-12-24-15-29(34-3)30(35-4)16-25(24)18-32/h5-10,15-17H,11-14,18-19H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506897 (CHEMBL4569990) Show SMILES COc1cc2CCN(CCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C25H29NO5/c1-16-17(2)25(27)31-22-14-20(6-7-21(16)22)30-11-5-9-26-10-8-18-12-23(28-3)24(29-4)13-19(18)15-26/h6-7,12-14H,5,8-11,15H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506898 (CHEMBL4450854) Show SMILES COc1cc2CCN(Cc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C30H31NO5/c1-19-20(2)30(32)36-27-15-25(9-10-26(19)27)35-18-22-7-5-21(6-8-22)16-31-12-11-23-13-28(33-3)29(34-4)14-24(23)17-31/h5-10,13-15H,11-12,16-18H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506885 (CHEMBL4464239) Show SMILES COc1cc2CCN(CCCCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C28H35NO5/c1-19-20(2)28(30)34-25-17-23(9-10-24(19)25)33-14-8-6-5-7-12-29-13-11-21-15-26(31-3)27(32-4)16-22(21)18-29/h9-10,15-17H,5-8,11-14,18H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506880 (CHEMBL4571279) Show SMILES COc1cc2CCN(CCCCCOc3ccc4c(C)c(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC Show InChI InChI=1S/C32H35NO5/c1-22-27-13-12-26(20-28(27)38-32(34)31(22)23-10-6-4-7-11-23)37-17-9-5-8-15-33-16-14-24-18-29(35-2)30(36-3)19-25(24)21-33/h4,6-7,10-13,18-20H,5,8-9,14-17,21H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-A...				Eur J Med Chem 161: 433-444 (2019) Article DOI: 10.1016/j.ejmech.2018.10.043 BindingDB Entry DOI: 10.7270/Q24M97VK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50506794 (CHEMBL4459482) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO[N+]([O-])=O)c4)CC3)ccc12 Show InChI InChI=1S/C25H28N2O6/c1-17-18(2)25(28)33-24-13-22(6-7-23(17)24)31-15-19-8-10-26(11-9-19)14-20-4-3-5-21(12-20)16-32-27(29)30/h3-7,12-13,19H,8-11,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair

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