BDBM16139 1-guanidino-7-sulfonamidoisoquinoline 13::2-({4-chloro-1-[(diaminomethylidene)amino]isoquinoline-7-}sulfonamido)acetic acid

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

InChI Key: InChIKey=NDLXLLJSLDEOHD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 16139   

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))	BDBM16139 (1-guanidino-7-sulfonamidoisoquinoline 13 | 2-({4-c...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C12H12ClN5O4S/c13-9-4-16-11(18-12(14)15)8-3-6(1-2-7(8)9)23(21,22)17-5-10(19)20/h1-4,17H,5H2,(H,19,20)(H4,14,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	48	-10.4	n/a	n/a	n/a	n/a	n/a	8.1	37
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
Plasminogen (Homo sapiens (Human))	BDBM16139 (1-guanidino-7-sulfonamidoisoquinoline 13 | 2-({4-c...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C12H12ClN5O4S/c13-9-4-16-11(18-12(14)15)8-3-6(1-2-7(8)9)23(21,22)17-5-10(19)20/h1-4,17H,5H2,(H,19,20)(H4,14,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM16139 (1-guanidino-7-sulfonamidoisoquinoline 13 | 2-({4-c...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C12H12ClN5O4S/c13-9-4-16-11(18-12(14)15)8-3-6(1-2-7(8)9)23(21,22)17-5-10(19)20/h1-4,17H,5H2,(H,19,20)(H4,14,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	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