BDBM50391956 CHEMBL2152265

SMILES: Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1

InChI Key: InChIKey=YWOJRGRRNWQSOH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  2 Kd

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50391956   

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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50391956 (CHEMBL2152265) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay				J Med Chem 61: 7560-7572 (2018) Article DOI: 10.1021/acs.jmedchem.7b01847 BindingDB Entry DOI: 10.7270/Q27H1N40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50391956 (CHEMBL2152265) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	329	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay				J Med Chem 61: 7560-7572 (2018) Article DOI: 10.1021/acs.jmedchem.7b01847 BindingDB Entry DOI: 10.7270/Q27H1N40
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50391956 (CHEMBL2152265) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	75	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50391956 (CHEMBL2152265) Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/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 PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.50E+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