BDBM50117581 CHEMBL3613618

SMILES: COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1

InChI Key: InChIKey=WRWOUEHJMWGBKY-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 = 50117581   

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))	BDBM50117581 (CHEMBL3613618) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1 Show InChI InChI=1S/C20H24N6O4/c1-13(27)24-16-11-17(23-12-22-16)26-8-6-20(21,7-9-26)19(29)25-15-5-3-4-14(10-15)18(28)30-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,25,29)(H,22,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	239	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))	BDBM50117581 (CHEMBL3613618) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1 Show InChI InChI=1S/C20H24N6O4/c1-13(27)24-16-11-17(23-12-22-16)26-8-6-20(21,7-9-26)19(29)25-15-5-3-4-14(10-15)18(28)30-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,25,29)(H,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	494	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))	BDBM50117581 (CHEMBL3613618) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1 Show InChI InChI=1S/C20H24N6O4/c1-13(27)24-16-11-17(23-12-22-16)26-8-6-20(21,7-9-26)19(29)25-15-5-3-4-14(10-15)18(28)30-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,25,29)(H,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50117581 (CHEMBL3613618) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1 Show InChI InChI=1S/C20H24N6O4/c1-13(27)24-16-11-17(23-12-22-16)26-8-6-20(21,7-9-26)19(29)25-15-5-3-4-14(10-15)18(28)30-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,25,29)(H,22,23,24,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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