BDBM50028036 CHEMBL3338840

SMILES: C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=RDSJJFGKRCBYRH-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 = 50028036   

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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	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	39	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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	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	>1.00E+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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	995	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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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-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))	BDBM50028036 (CHEMBL3338840) Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	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