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SMILES: Nc1nonc1-c1nc2ccccc2n1CC1CC1

InChI Key: InChIKey=LLDVRUBUBPSOMY-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 4 hits for monomerid = 50310459   

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
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50310459 (4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1 Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50310459 (4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1 Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50310459 (4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1 Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM50310459 (4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1 Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PKAalpha assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
					More data for this Ligand-Target Pair				3D Structure (crystal)