BDBM50130037 CHEMBL3629278

SMILES: Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12

InChI Key: InChIKey=AWSGOVJNEZMVLZ-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 = 50130037   

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))	BDBM50130037 (CHEMBL3629278) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-9-23-19-17(11)18(24-10-25-19)13-3-4-16(15(21)8-13)27-20(28)26-14-5-6-22-12(2)7-14/h3-10H,1-2H3,(H,23,24,25)(H2,22,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	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))	BDBM50130037 (CHEMBL3629278) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-9-23-19-17(11)18(24-10-25-19)13-3-4-16(15(21)8-13)27-20(28)26-14-5-6-22-12(2)7-14/h3-10H,1-2H3,(H,23,24,25)(H2,22,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.01E+3	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