BDBM50262023 CHEMBL4071991

SMILES: Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1

InChI Key: InChIKey=QHWVHFCEYMEGCM-VDVKDMFPSA-N

Data: 4 IC50  1 Kd

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 = 50262023   

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 (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in supersomes using kynuramine as substrate by LC-MS/MS analysis				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/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	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Ionworks electrophysiology method				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in supersomes using kynuramine as substrate by LC-MS/MS analysis				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair