BDBM50028029 CHEMBL3338841

SMILES: C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=ICYHTLOSQWNNMN-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 = 50028029   

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))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	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	>1.00E+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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	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	141	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
Protein kinase C, eta (Homo sapiens (Human))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	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	>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))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	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	>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 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
Protein kinase N2 (Homo sapiens (Human))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50028029 (CHEMBL3338841) Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)	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	120	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