BDBM35318 aminoisoquinoline, 12a

SMILES: Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1

InChI Key: InChIKey=CCUWZTRFTGLQCV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 35318   

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
B-RAF V600E (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	53	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB MMDB NCI pathway 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	>1.60E+3	n/a	n/a	n/a	n/a	7.5	23
Amgen					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	7.5	23
Amgen					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair