BDBM10995 (1R)-N-methyl-2,3-dihydro-1H-inden-1-amine::N-methyl-1(R)-aminoindan::R-MAI::rasagiline analog

SMILES: CN[C@@H]1CCc2ccccc12

InChI Key: InChIKey=AIXUYZODYPPNAV-SNVBAGLBSA-N

Data: 2 KI  2 IC50

PDB links: 2 PDB IDs match this monomer. 38 PDB IDs contain this monomer as substructures. 38 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 4 hits for monomerid = 10995   

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] B (Homo sapiens (Human))	BDBM10995 ((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...) Show SMILES CN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+4	-6.50	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Pavia					Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...				J Med Chem 48: 8148-54 (2005) Article DOI: 10.1021/jm0506266 BindingDB Entry DOI: 10.7270/Q2T151WC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM10995 ((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...) Show SMILES CN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60E+4	-5.80	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Pavia					Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...				J Med Chem 48: 8148-54 (2005) Article DOI: 10.1021/jm0506266 BindingDB Entry DOI: 10.7270/Q2T151WC
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM10995 ((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...) Show SMILES CN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...				Bioorg Med Chem 22: 3879-86 (2014) Article DOI: 10.1016/j.bmc.2014.06.018 BindingDB Entry DOI: 10.7270/Q2DR2X53
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM10995 ((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...) Show SMILES CN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method				Bioorg Med Chem 22: 3781-90 (2014) Article DOI: 10.1016/j.bmc.2014.04.037 BindingDB Entry DOI: 10.7270/Q2DB83HS
					More data for this Ligand-Target Pair