null

SMILES: Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

InChI Key: InChIKey=MDWXVGCLSBQVMP-UHFFFAOYSA-N

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 63 hits for monomerid = 50235833   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1(unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of MEK2 (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GSK3B (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description In vitro antagonist activity at recombinant Metabotropic glutamate receptor 5 expressed in RGT cells.				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of AURKA (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ACVR1 (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Syk in human Ramos B cells assessed as decrease in intracellular calcium flux measured for 3.5 mins by calcium-5 dye based FLIPR assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair				3D Structure (crystal)
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair