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SMILES: Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50563323   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam 1-hydroxylation as substrate by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan O-demethylation as substrate by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50563323 (CHEMBL4791586) Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113248 BindingDB Entry DOI: 10.7270/Q2930XW8
					More data for this Ligand-Target Pair