BDBM50431025 CHEMBL2338335

SMILES: CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1

InChI Key: InChIKey=XNBNPTNODRUPCB-HNNXBMFYSA-N

Data: 12 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 12 hits for monomerid = 50431025   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek1 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB 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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50431025 (CHEMBL2338335) Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17| Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair