BDBM50391954 CHEMBL2152262

SMILES: COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cccc(N)c1

InChI Key: InChIKey=JPTMGCYMHIJHRQ-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 = 50391954   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50391954 (CHEMBL2152262) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cccc(N)c1 Show InChI InChI=1S/C21H19N3O2/c1-25-19-7-6-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-4-3-5-16(22)8-13/h3-12H,22H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50391954 (CHEMBL2152262) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cccc(N)c1 Show InChI InChI=1S/C21H19N3O2/c1-25-19-7-6-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-4-3-5-16(22)8-13/h3-12H,22H2,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to TRKA by high throughput assay				J Med Chem 55: 5337-49 (2012) Article DOI: 10.1021/jm3002982 BindingDB Entry DOI: 10.7270/Q2JM2BQ3
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50391954 (CHEMBL2152262) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cccc(N)c1 Show InChI InChI=1S/C21H19N3O2/c1-25-19-7-6-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-4-3-5-16(22)8-13/h3-12H,22H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of wild type c-KIT (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50391954 (CHEMBL2152262) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cccc(N)c1 Show InChI InChI=1S/C21H19N3O2/c1-25-19-7-6-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-4-3-5-16(22)8-13/h3-12H,22H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of wild type c-KIT (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair