BDBM50028033 CHEMBL3338837

SMILES: CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1

InChI Key: InChIKey=KSKYRXFKNPXFGI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50028033   

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))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of ROCK-1 (unknown origin)				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate after 40 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PKC-theta after 60 mins by 33P-ATP incorporation assay				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair
Protein kinase N2 (Homo sapiens (Human))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PKN-2 using AKRRRLSSLRA as substrate after 40 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair
Protein kinase C, eta (Homo sapiens (Human))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PKC-eta after 60 mins by 33P-ATP incorporation assay				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair
Protein kinase N1 (Homo sapiens (Human))	BDBM50028033 (CHEMBL3338837) Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1 Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of PKN-1 (unknown origin)				Bioorg Med Chem Lett 24: 4812-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.002 BindingDB Entry DOI: 10.7270/Q2MP54VV
					More data for this Ligand-Target Pair