BDBM16162 2-(4-chloro-7-{[(2R)-2-(hydroxymethyl)pyrrolidine-1-]sulfonyl}isoquinolin-1-yl)guanidine::cyclic deriv. 36

SMILES: [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8]

InChI Key: InChIKey=OQMRNIRRUCXMGT-SECBINFHSA-N

Data: 1 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 16162   

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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM16162 (2-(4-chloro-7-{[(2R)-2-(hydroxymethyl)pyrrolidine-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C15H18ClN5O3S/c16-13-7-19-14(20-15(17)18)12-6-10(3-4-11(12)13)25(23,24)21-5-1-2-9(21)8-22/h3-4,6-7,9,22H,1-2,5,8H2,(H4,17,18,19,20)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...				J Med Chem 50: 2341-51 (2007) Article DOI: 10.1021/jm061066t BindingDB Entry DOI: 10.7270/Q27S7M18
					More data for this Ligand-Target Pair