BDBM50409101 CHEMBL142799

SMILES: O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12

InChI Key: InChIKey=XQVDQBUDJDSCEP-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50409101   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50409101 (CHEMBL142799) Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12 Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%				J Med Chem 43: 4747-58 (2000) BindingDB Entry DOI: 10.7270/Q20K29RT
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50409101 (CHEMBL142799) Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12 Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.47	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%				J Med Chem 43: 4747-58 (2000) BindingDB Entry DOI: 10.7270/Q20K29RT
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50409101 (CHEMBL142799) Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12 Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...				Bioorg Med Chem 24: 5573-5581 (2016) Article DOI: 10.1016/j.bmc.2016.09.016 BindingDB Entry DOI: 10.7270/Q21R6SGK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50409101 (CHEMBL142799) Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12 Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of rat brain MAOB				J Med Chem 49: 6264-72 (2006) Article DOI: 10.1021/jm060441e BindingDB Entry DOI: 10.7270/Q2X63P5Q
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50409101 (CHEMBL142799) Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12 Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.912	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human supersomes MAOB				J Med Chem 49: 6264-72 (2006) Article DOI: 10.1021/jm060441e BindingDB Entry DOI: 10.7270/Q2X63P5Q
					More data for this Ligand-Target Pair