BDBM309500 US9603833, Example 124

SMILES: CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCCOC(=O)NN)c2)nc1

InChI Key: InChIKey=VDGWKDKPJRIMPI-UHFFFAOYSA-N

Data: 2 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 = 309500   

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
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309500 (US9603833, Example 124) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCCOC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H29N5O3S/c1-16(27)25-8-10-26(11-9-25)19-7-6-18(23-14-19)5-4-17-13-20(30-15-17)3-2-12-29-21(28)24-22/h6-7,13-15H,2-5,8-12,22H2,1H3,(H,24,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309500 (US9603833, Example 124) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCCOC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H29N5O3S/c1-16(27)25-8-10-26(11-9-25)19-7-6-18(23-14-19)5-4-17-13-20(30-15-17)3-2-12-29-21(28)24-22/h6-7,13-15H,2-5,8-12,22H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair