BDBM50266786 CHEMBL4063337

SMILES: Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1

InChI Key: InChIKey=BKRZYDXKJLEFCP-CTHHTMFSSA-N

Data: 12 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 12 hits for monomerid = 50266786   

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
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Mus musculus)	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of recombinant mouse LOXL2 expressed in mouse whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP prein...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC-MS/MS analysis				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP2C9 human liver microsomes after 10 mins by LC-MS/MS analysis				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Rattus norvegicus)	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of rat LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs foll...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs foll...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 10 mins by LC-MS/MS analysis				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC-MS/MS analysis				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC-MS/MS analysis				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by s...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50266786 (CHEMBL4063337) Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r| Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Therapeutics Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP prein...				J Med Chem 60: 4403-4423 (2017) Article DOI: 10.1021/acs.jmedchem.7b00345 BindingDB Entry DOI: 10.7270/Q2QV3Q0K
					More data for this Ligand-Target Pair