BDBM50073188 CHEMBL3408192

SMILES: Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1

InChI Key: InChIKey=OCKDTDFLJPUWIH-UHFFFAOYSA-N

Data: 4 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 = 50073188   

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
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50073188 (CHEMBL3408192) Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay				J Med Chem 58: 1717-35 (2015) Article DOI: 10.1021/jm501436m BindingDB Entry DOI: 10.7270/Q2H70HJ2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50073188 (CHEMBL3408192) Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 1717-35 (2015) Article DOI: 10.1021/jm501436m BindingDB Entry DOI: 10.7270/Q2H70HJ2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50073188 (CHEMBL3408192) Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 58: 1717-35 (2015) Article DOI: 10.1021/jm501436m BindingDB Entry DOI: 10.7270/Q2H70HJ2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50073188 (CHEMBL3408192) Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay				J Med Chem 58: 1717-35 (2015) Article DOI: 10.1021/jm501436m BindingDB Entry DOI: 10.7270/Q2H70HJ2
					More data for this Ligand-Target Pair