BDBM35319 aminoisoquinoline, 12b

SMILES: Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1

InChI Key: InChIKey=KKUNUMXHGLIOMX-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 35319   

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))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	34	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))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	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))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	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