BDBM309484 US9603833, Example 105

SMILES: NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1

InChI Key: InChIKey=FMQLPQHGUVBUCF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 309484   

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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM309484 (US9603833, Example 105) Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1 Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM309484 (US9603833, Example 105) Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1 Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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 the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM309484 (US9603833, Example 105) Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1 Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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 the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Amine oxidase, copper containing (Rattus norvegicus (Rat))	BDBM309484 (US9603833, Example 105) Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1 Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	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