BDBM148414 US9682963, 7

SMILES: CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1

InChI Key: InChIKey=RATUMGRAXCWNBG-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 148414   

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))	BDBM148414 (US9682963, 7) Show SMILES CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 Show InChI InChI=1S/C31H28FN5O4/c1-37(28-12-14-41-31(28)40)24-9-7-23(8-10-24)35-29(38)20-4-2-3-19(15-20)25-16-21(5-6-22(25)17-33)30(39)36-27-11-13-34-18-26(27)32/h2-11,13,15-16,18,28H,12,14,17,33H2,1H3,(H,35,38)(H,34,36,39)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Redx Pharma PLC US Patent					Assay Description Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Required cofactor...				US Patent US9682963 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2DZF
					More data for this Ligand-Target Pair
ROCK Complex (Rattus norvegicus (Rat))	BDBM148414 (US9682963, 7) Show SMILES CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 Show InChI InChI=1S/C31H28FN5O4/c1-37(28-12-14-41-31(28)40)24-9-7-23(8-10-24)35-29(38)20-4-2-3-19(15-20)25-16-21(5-6-22(25)17-33)30(39)36-27-11-13-34-18-26(27)32/h2-11,13,15-16,18,28H,12,14,17,33H2,1H3,(H,35,38)(H,34,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Redx Pharma PLC US Patent					Assay Description Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...				US Patent US9682963 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2DZF
					More data for this Ligand-Target Pair