BDBM50130505 CHEMBL3634101

SMILES: Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1

InChI Key: InChIKey=CIGZUVLALLRNKR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50130505   

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 1A (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO receptor in Sprague-Dawley rat cerebral cortex membrane by radiometric competitive assay				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG potassium channel expressed in HEK293 cell membrane after 1 hr				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50130505 (CHEMBL3634101) Show SMILES Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1 Show InChI InChI=1S/C26H19ClN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition				Eur J Med Chem 103: 210-22 (2015) BindingDB Entry DOI: 10.7270/Q2DR2XBB
					More data for this Ligand-Target Pair