null

SMILES: CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N

InChI Key: InChIKey=YUVLZPSSXDFUHH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50535491   

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
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-SHM-MAP4K4(2 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mi...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length MAP4K4(1-1239)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubat...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK(1-1360)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length MINK1(1-1332)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubate...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-TNIK(1 to 325) expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-Avi-MINK1(1 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 min...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535491 (CHEMBL4558962) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair