BDBM50085394 5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-(5-carbamimidoyl-2-hydroxy-phenyl)-allyl]-amide::CHEMBL72350

SMILES: NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1

InChI Key: InChIKey=ISQVFVSYFBMAFK-ONEGZZNKSA-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 = 50085394   

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 X (Homo sapiens (Human))	BDBM50085394 (5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1 Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085394 (5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1 Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085394 (5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1 Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor IIa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair