BDBM50391955 CHEMBL2152264

SMILES: Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1

InChI Key: InChIKey=MJYJMOYFDMVCLO-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50391955   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50391955 (CHEMBL2152264) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-3-1-2-13(8-15)14-9-16-17(11-22-18(16)21-10-14)12-4-6-20-7-5-12/h1-11H,19H2,(H,21,22)	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	16	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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50391955 (CHEMBL2152264) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-3-1-2-13(8-15)14-9-16-17(11-22-18(16)21-10-14)12-4-6-20-7-5-12/h1-11H,19H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.7	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 TRKA assessed as [gamma33P]ATP incorporation into substrate				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50391955 (CHEMBL2152264) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-3-1-2-13(8-15)14-9-16-17(11-22-18(16)21-10-14)12-4-6-20-7-5-12/h1-11H,19H2,(H,21,22)	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	n/a	2.90E+3	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 PI3Kalpha 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