BDBM50462631 CHEMBL4241193

SMILES: COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1

InChI Key: InChIKey=AOADXAAWRGMPGF-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50462631   

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
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair