BDBM50115489 CHEMBL1571193

SMILES: COc1ccc(cc1)C(=O)Nc1ccccn1

InChI Key: InChIKey=YFXWAMDABVLKSA-UHFFFAOYSA-N

Data: 1 KI  2 Kd

PDB links: 1 PDB ID matches 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 = 50115489   

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
Prothrombin (Homo sapiens (Human))	BDBM50115489 (CHEMBL1571193) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	2.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin)				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50115489 (CHEMBL1571193) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	1.58E+6	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin) by displacement titration based isothermal titration colorimetry				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50115489 (CHEMBL1571193) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair