BDBM50535490 CHEMBL4451091

SMILES: CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1

InChI Key: InChIKey=JUSSLCLDOMYWPZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50535490   

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
TRAF2- and NCK-interacting kinase (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	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
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	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
					More data for this Ligand-Target Pair
TRAF2- and NCK-interacting kinase (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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(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
					More data for this Ligand-Target Pair
TRAF2- and NCK-interacting kinase (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	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
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535490 (CHEMBL4451091) Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	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
					More data for this Ligand-Target Pair