Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'abu-serie' and Initial = 'mm'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human AChE assessed as dissociation constant using acetylthiocholine iodide as substrate incubated for 10 mins b...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodi...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50572694 (CHEMBL4854379) Show SMILES CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)SC1CCCC1S Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50327224 (4-Benzyl-[1,2,4]triazolo[4,3-a]quinoxaline | CHEMB...) Show SMILES C(c1ccccc1)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C16H12N4/c1-2-6-12(7-3-1)10-14-16-19-17-11-20(16)15-9-5-4-8-13(15)18-14/h1-9,11H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50550738 (CHEMBL4792262) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(C(=O)c2ccccc2I)c2ccccc2)c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AKT assessed as inhibition of substrate phosphorylation using AKTide-2T as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50550740 (CHEMBL4780030) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(Cc2ccccc2)C(=O)Cc2ccccc2)c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AKT assessed as inhibition of substrate phosphorylation using AKTide-2T as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50572691 (CHEMBL4862110) Show SMILES CCOC(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50550738 (CHEMBL4792262) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(C(=O)c2ccccc2I)c2ccccc2)c2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP-9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50572689 (CHEMBL4871376) Show SMILES NC(=S)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50073514 (CHEMBL3408913) Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572690 (CHEMBL4852596) Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=S)Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50550740 (CHEMBL4780030) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(Cc2ccccc2)C(=O)Cc2ccccc2)c2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP-9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50572690 (CHEMBL4852596) Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=S)Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin) by fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50572689 (CHEMBL4871376) Show SMILES NC(=S)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin) by fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50550739 (CHEMBL4788683) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(C(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP-9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50572690 (CHEMBL4852596) Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=S)Nc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50550739 (CHEMBL4788683) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(N(C(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AKT assessed as inhibition of substrate phosphorylation using AKTide-2T as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50572692 (CHEMBL4878125) Show SMILES OCC(O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572689 (CHEMBL4871376) Show SMILES NC(=S)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O 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 MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50572692 (CHEMBL4878125) Show SMILES OCC(O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin) by fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50572691 (CHEMBL4862110) Show SMILES CCOC(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin) by fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572691 (CHEMBL4862110) Show SMILES CCOC(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O 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 MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50073542 (CHEMBL3408929) Show SMILES CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C30H31N3O4/c1-30(2,3)37-29(36)25(19-22-14-8-5-9-15-22)32-27(34)20-33-26-17-11-10-16-23(26)31-24(28(33)35)18-21-12-6-4-7-13-21/h4-17,25H,18-20H2,1-3H3,(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50073514 (CHEMBL3408913) Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP9 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572692 (CHEMBL4878125) Show SMILES OCC(O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509709 (CHEMBL4441059) Show SMILES Cl.[O-][N+](=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-13-11-22(12-14-23)35-18-21(32-34-35)19-39-24-15-9-20(10-16-24)17-30-33-29-25-5-1-3-7-27(25)31-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,31,33)/b30-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50073514 (CHEMBL3408913) Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin) by fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM13080 (CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP-1 (unknown origin) by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111875 BindingDB Entry DOI: 10.7270/Q2X92FXB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair

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