BDBM50130039 CHEMBL3629276

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=GKSKIDCXRNOUPX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50130039   

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))	BDBM50130039 (CHEMBL3629276) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate				Bioorg Med Chem 23: 7464-77 (2015) BindingDB Entry DOI: 10.7270/Q2Q81FW9
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50130039 (CHEMBL3629276) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate				Bioorg Med Chem 23: 7464-77 (2015) BindingDB Entry DOI: 10.7270/Q2Q81FW9
					More data for this Ligand-Target Pair