BDBM50214100 CHEMBL249303::N-ethyl-N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)ethanamine

SMILES: CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12

InChI Key: InChIKey=HAIHTRCFSLFERU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50214100   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Inhibition of RET kinase				Bioorg Med Chem Lett 21: 4490-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.003 BindingDB Entry DOI: 10.7270/Q2BV7H06
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair