BDBM50272089 CHEMBL4126331

SMILES: Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O

InChI Key: InChIKey=SZHDFZYDTUBTCE-UHFFFAOYSA-N

Data: 8 IC50  1 EC50

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 9 hits for monomerid = 50272089   

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 1A2 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human DGAT2 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1 in human HEK293 cells using [13C18]oleic acid as substrate assessed as decrease in triacylglycerol synthesis preincubated for 15 ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair