BDBM50387349 CHEMBL2046644

SMILES: CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N

InChI Key: InChIKey=FDFNBRWULOMEEQ-ZDUSSCGKSA-N

Data: 3 KI  1 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 = 50387349   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50387349 (CHEMBL2046644) Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCtheta				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50387349 (CHEMBL2046644) Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCdelta				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50387349 (CHEMBL2046644) Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCalpha				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50387349 (CHEMBL2046644) Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCtheta-mediated IL-2 production by cell based assay				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair