BDBM14170 APC-7377::Benzo[b]thiophene-2-carboxamidine::[amino(1-benzothiophen-2-yl)methylidene]azanium

SMILES: NC(=[NH2+])c1cc2ccccc2s1

InChI Key: InChIKey=JZWDLUGQTRKBNA-UHFFFAOYSA-O

Data: 6 KI

PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain 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 6 hits for monomerid = 14170   

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
Serine protease 1 (Bos taurus (bovine))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	1.00E+3	-8.10	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.30E+3	-7.61	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.90E+3	-6.75	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.50E+4	-6.51	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.10E+4	-6.31	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14170 (APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...) Show SMILES NC(=[NH2+])c1cc2ccccc2s1 Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+4	-5.72	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair