BDBM11593 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine::Aminomethylpyrimidine 1e

SMILES: COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=RCJFINNFYUNFGH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 11593   

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
Dipeptidyl peptidase 4 (DPP4) (Homo sapiens (human))	BDBM11593 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Graduate University of the Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 21: 6630-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.093 BindingDB Entry DOI: 10.7270/Q2DN45GR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4) (Homo sapiens (human))	BDBM11593 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...				Bioorg Med Chem Lett 14: 1491-3 (2004) Article DOI: 10.1016/j.bmcl.2004.01.019 BindingDB Entry DOI: 10.7270/Q22B8W7M
					More data for this Ligand-Target Pair				3D Structure (crystal)