BDBM14188 3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione::CHEMBL126545::Imide Analog 15

SMILES: O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21

InChI Key: InChIKey=JJQPROAZGIYDBL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 14188   

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
Mixed Lineage Kinase 1 (MLK1) (Homo sapiens (Human))	BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.2	37
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3) (Homo sapiens (Human))	BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
					More data for this Ligand-Target Pair