BDBM50307267 CHEMBL597759::[2-(Piperazin-1-ylmethyl)-phenyl]-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester

SMILES: NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1

InChI Key: InChIKey=XJUKHMPGPODLSN-UHFFFAOYSA-N

Data: 3 KI

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 = 50307267   

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
Coagulation factor IX (Homo sapiens (Human))	BDBM50307267 (CHEMBL597759 | [2-(Piperazin-1-ylmethyl)-phenyl]-c...) Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C29H31N5O3S/c30-28(31)27-17-22-24(11-6-12-26(22)38-27)37-25(20-7-2-1-3-8-20)19-36-29(35)33-23-10-5-4-9-21(23)18-34-15-13-32-14-16-34/h1-12,17,25,32H,13-16,18-19H2,(H3,30,31)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50307267 (CHEMBL597759 | [2-(Piperazin-1-ylmethyl)-phenyl]-c...) Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C29H31N5O3S/c30-28(31)27-17-22-24(11-6-12-26(22)38-27)37-25(20-7-2-1-3-8-20)19-36-29(35)33-23-10-5-4-9-21(23)18-34-15-13-32-14-16-34/h1-12,17,25,32H,13-16,18-19H2,(H3,30,31)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of factor 10a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50307267 (CHEMBL597759 | [2-(Piperazin-1-ylmethyl)-phenyl]-c...) Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C29H31N5O3S/c30-28(31)27-17-22-24(11-6-12-26(22)38-27)37-25(20-7-2-1-3-8-20)19-36-29(35)33-23-10-5-4-9-21(23)18-34-15-13-32-14-16-34/h1-12,17,25,32H,13-16,18-19H2,(H3,30,31)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of uPA				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair