BDBM246584 bis(3,4-dimethoxyphenyl)methanamine hydrochloride (22)

SMILES: COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=CTIRLWFJVQYOJA-UHFFFAOYSA-N

Data: 2 KI

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 = 246584   

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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246584 (bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...) Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.37E+4	-6.63	n/a	n/a	n/a	n/a	n/a	7.4	25
Atatürk University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM246584 (bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...) Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+4	-6.55	n/a	n/a	n/a	n/a	n/a	7.4	25
Atatürk University					Assay Description Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.				J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447
					More data for this Ligand-Target Pair