BDBM50356584 CHEMBL1910124

SMILES: Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SOFQOASLSXGZBR-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50356584   

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))	BDBM50356584 (CHEMBL1910124) Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50356584 (CHEMBL1910124) Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	967	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50356584 (CHEMBL1910124) Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50356584 (CHEMBL1910124) Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 up to 40 uM				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair