BDBM35321 aminoisoquinoline, 14

SMILES: CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12

InChI Key: InChIKey=APHYPLAMZNZIQK-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 = 35321   

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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	44	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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	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	>1.00E+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