BindingDB PrimarySearch

BDBM50441571 CHEMBL2436982::US10485800, Example 18::US9814704, Example 18

SMILES: COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1

InChI Key: InChIKey=DFBYFJSXUCUKLA-UHFFFAOYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50441571
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
Califia Bio Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of human wild type LRRK2 by qPCR analysis				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
Califia Bio Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
Califia Bio Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The University of Rochester; Board of Regents of the University of Nebraska US Patent					Assay Description 200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...				US Patent US10485800 (2019) BindingDB Entry DOI: 10.7270/Q22B91DW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of diclofenac metabolism by HPLC/MS analysis				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
Califia Bio Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The University of Rochester US Patent					Assay Description 200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...				US Patent US9814704 (2017) BindingDB Entry DOI: 10.7270/Q27H1MRN
The University of Rochester US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441571 (CHEMBL2436982 \| US10485800, Example 18 \| US9814704...) Show SMILES Show InChI	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as inhibition of midazolam metabolism by HPLC/MS analysis				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
Califia Bio Inc. Curated by ChEMBL					More data for this Ligand-Target Pair