BDBM16592 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide::CHEMBL468900::N,N -bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide::Pyrimidine Dicarboxamide Inhibitor, 1

SMILES: O=C(NCc1cccnc1)c1cc(ncn1)C(=O)NCc1cccnc1

InChI Key: InChIKey=NHPBWKYFMTXWAA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 16592   

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
Collagenase 3 (Homo sapiens (Human))	BDBM16592 (4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dica...) Show SMILES O=C(NCc1cccnc1)c1cc(ncn1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.5	22
Aventis Pharma Deutschland GmbH					Assay Description MMP-13 was assayed its proteolytic activity using a quenched fluorogenic substrate. The substrate hydrolysis was monitored by recording the increase ...				Chem Biol 12: 181-9 (2005) Article DOI: 10.1016/j.chembiol.2004.11.014 BindingDB Entry DOI: 10.7270/Q2WD3XTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM16592 (4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dica...) Show SMILES O=C(NCc1cccnc1)c1cc(ncn1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of human MMP13				Bioorg Med Chem Lett 19: 47-50 (2008) Article DOI: 10.1016/j.bmcl.2008.11.038 BindingDB Entry DOI: 10.7270/Q2VT1RZP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM16592 (4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dica...) Show SMILES O=C(NCc1cccnc1)c1cc(ncn1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair				3D Structure (crystal)