BDBM50196108 CHEMBL424917::{6-fluoro-4-[4-(3,3,4-trimethylpiperazin-1-yl)phenylamino]-quinolin-3-yl}methanol

SMILES: CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

InChI Key: InChIKey=KJGIXOOWJYEMMO-UHFFFAOYSA-N

Data: 4 KI

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 = 50196108   

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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50196108 (CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Timisoara of the Romanian Academy Curated by ChEMBL					Assay Description Binding affinity to human cloned Alpha-2C adrenergic receptor				Eur J Med Chem 46: 877-84 (2011) Article DOI: 10.1016/j.ejmech.2010.12.026 BindingDB Entry DOI: 10.7270/Q2474C44
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50196108 (CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50196108 (CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50196108 (CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair