BDBM50117598 CHEMBL3613617

SMILES: COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1

InChI Key: InChIKey=IDQFWWKUZNCJCP-UHFFFAOYSA-N

Data: 4 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 = 50117598   

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
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50117598 (CHEMBL3613617) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1 Show InChI InChI=1S/C18H22N6O3/c1-27-15(25)12-3-2-4-13(11-12)22-16(26)18(20)6-9-24(10-7-18)14-5-8-21-17(19)23-14/h2-5,8,11H,6-7,9-10,20H2,1H3,(H,22,26)(H2,19,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50117598 (CHEMBL3613617) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1 Show InChI InChI=1S/C18H22N6O3/c1-27-15(25)12-3-2-4-13(11-12)22-16(26)18(20)6-9-24(10-7-18)14-5-8-21-17(19)23-14/h2-5,8,11H,6-7,9-10,20H2,1H3,(H,22,26)(H2,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50117598 (CHEMBL3613617) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1 Show InChI InChI=1S/C18H22N6O3/c1-27-15(25)12-3-2-4-13(11-12)22-16(26)18(20)6-9-24(10-7-18)14-5-8-21-17(19)23-14/h2-5,8,11H,6-7,9-10,20H2,1H3,(H,22,26)(H2,19,21,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50117598 (CHEMBL3613617) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1 Show InChI InChI=1S/C18H22N6O3/c1-27-15(25)12-3-2-4-13(11-12)22-16(26)18(20)6-9-24(10-7-18)14-5-8-21-17(19)23-14/h2-5,8,11H,6-7,9-10,20H2,1H3,(H,22,26)(H2,19,21,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair