BDBM50535492 CHEMBL4558988

SMILES: Fc1cc(ccn1)-c1ccc2ccncc2n1

InChI Key: InChIKey=MCIRSVXTCLMZIA-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 = 50535492   

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))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG 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 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
Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB MMDB KEGG 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 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
Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB 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-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
TRAF2- and NCK-interacting kinase (Homo sapiens (Human))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+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
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	PDB MMDB NCI pathway Reactome pathway 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-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
TRAF2- and NCK-interacting kinase (Homo sapiens (Human))	BDBM50535492 (CHEMBL4558988) Show SMILES Fc1cc(ccn1)-c1ccc2ccncc2n1 Show InChI InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H	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