BDBM50012189 CHEMBL3265238

SMILES: COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1

InChI Key: InChIKey=GAQWKARFCURWKO-HNNXBMFYSA-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 = 50012189   

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))	BDBM50012189 (CHEMBL3265238) Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1 |r| Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 57: 3746-54 (2014) Article DOI: 10.1021/jm401919s BindingDB Entry DOI: 10.7270/Q2J38V3B
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50012189 (CHEMBL3265238) Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1 |r| Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				J Med Chem 57: 3746-54 (2014) Article DOI: 10.1021/jm401919s BindingDB Entry DOI: 10.7270/Q2J38V3B
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50012189 (CHEMBL3265238) Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1 |r| Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor (unknown origin)				J Med Chem 57: 3746-54 (2014) Article DOI: 10.1021/jm401919s BindingDB Entry DOI: 10.7270/Q2J38V3B
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50012189 (CHEMBL3265238) Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1 |r| Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 57: 3746-54 (2014) Article DOI: 10.1021/jm401919s BindingDB Entry DOI: 10.7270/Q2J38V3B
					More data for this Ligand-Target Pair