BDBM50085389 3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carboxylic acid[(E)-3-(5-carbamimidoyl-2-hydroxy-phenyl)-allyl]-amide::CHEMBL73774

SMILES: NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1

InChI Key: InChIKey=CJTFSCISEKIFOH-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 = 50085389   

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))	BDBM50085389 (3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8| Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	184	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))	BDBM50085389 (3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8| Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)	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))	BDBM50085389 (3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8| Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)	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