BDBM11568 1b-para-Cl::5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine::Aminomethylpyrimidine 1bf

SMILES: NCc1c(N)nc(nc1-c1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=XJUZSPSKYMVGEQ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 11568   

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 (Homo sapiens (Human))	BDBM11568 (1b-para-Cl | 5-(aminomethyl)-6-(4-chlorophenyl)-2-...) Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H15ClN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11568 (1b-para-Cl | 5-(aminomethyl)-6-(4-chlorophenyl)-2-...) Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H15ClN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	22
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