null

SMILES: CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50579217   

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
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR d747-749/A750P mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PLK1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PLK2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PLK3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 19 (Homo sapiens (Human))	BDBM50579217 (CHEMBL4871593) Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of YSK4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01121 BindingDB Entry DOI: 10.7270/Q2JW8JQM
					More data for this Ligand-Target Pair