BDBM50364652 CHEMBL1951350

SMILES: CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1

InChI Key: InChIKey=IVWHDODYYCRXLZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50364652   

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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50364652 (CHEMBL1951350) Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364652 (CHEMBL1951350) Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50364652 (CHEMBL1951350) Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair