BindingDB PrimarySearch

BDBM50221073 (3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine::(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE::CHEMBL237786

SMILES: COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F

InChI Key: InChIKey=IFKWHPAWYJARQJ-DYVFJYSZSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50221073
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of FAP				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP8				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP2				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase III (Homo sapiens (Human))	BDBM50221073 ((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP3				Bioorg Med Chem Lett 17: 5638-42 (2007) Article DOI: 10.1016/j.bmcl.2007.07.081 BindingDB Entry DOI: 10.7270/Q2319WRX
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair