BDBM50500932 CHEMBL3798066

SMILES: CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1

InChI Key: InChIKey=CBAKEHNEEJTUGB-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50500932   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50500932 (CHEMBL3798066) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				J Med Chem 59: 3034-45 (2016) Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50500932 (CHEMBL3798066) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay				J Med Chem 59: 3034-45 (2016) Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50500932 (CHEMBL3798066) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 59: 3034-45 (2016) Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50500932 (CHEMBL3798066) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...				J Med Chem 59: 3034-45 (2016) Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50500932 (CHEMBL3798066) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK2b using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 1 hr by HTRF...				J Med Chem 59: 3034-45 (2016) Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH
					More data for this Ligand-Target Pair