BDBM50311763 1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)pyridin-2(1H)-one::CHEMBL1079958

SMILES: CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O

InChI Key: InChIKey=JHGFMOUZDYZILF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50311763   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair