BDBM148412 US9682963, 5

SMILES: NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F

InChI Key: InChIKey=VBQGFEWSIJNGOP-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 = 148412   

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))	BDBM148412 (US9682963, 5) Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F Show InChI InChI=1S/C30H26FN5O4/c31-25-17-33-12-10-26(25)36-29(38)20-4-5-21(16-32)24(15-20)18-2-1-3-19(14-18)28(37)35-23-8-6-22(7-9-23)34-27-11-13-40-30(27)39/h1-10,12,14-15,17,27,34H,11,13,16,32H2,(H,35,37)(H,33,36,38)	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))	BDBM148412 (US9682963, 5) Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F Show InChI InChI=1S/C30H26FN5O4/c31-25-17-33-12-10-26(25)36-29(38)20-4-5-21(16-32)24(15-20)18-2-1-3-19(14-18)28(37)35-23-8-6-22(7-9-23)34-27-11-13-40-30(27)39/h1-10,12,14-15,17,27,34H,11,13,16,32H2,(H,35,37)(H,33,36,38)	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