BDBM50012672 2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium::2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium(5,6-DHT)::3-(2-Amino-ethyl)-1H-indole-5,6-diol::CHEMBL303916

SMILES: NCCc1c[nH]c2cc(O)c(O)cc12

InChI Key: InChIKey=SKOKLDQYOKPCPU-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50012672   

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
Catechol-O-methyltransferase (Rattus norvegicus (Rat))	BDBM50012672 (2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium | 2...) Show SMILES NCCc1c[nH]c2cc(O)c(O)cc12 Show InChI InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50012672 (2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium | 2...) Show SMILES NCCc1c[nH]c2cc(O)c(O)cc12 Show InChI InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against incorporation of Serotonin transporter uptake into the differentiated N-2a cells.				J Med Chem 28: 1273-9 (1985) BindingDB Entry DOI: 10.7270/Q2M61KTF
					More data for this Ligand-Target Pair