BDBM50081504 3-[(S)-3-(Isoquinoline-7-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine::CHEMBL327636

SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccncc4c3)C2=O)c1

InChI Key: InChIKey=XCWVIZKXNXEVRL-IBGZPJMESA-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 = 50081504   

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))	BDBM50081504 (3-[(S)-3-(Isoquinoline-7-sulfonylamino)-2-oxo-pyrr...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccncc4c3)C2=O)c1 Show InChI InChI=1S/C21H21N5O3S/c22-20(23)16-3-1-2-14(10-16)13-26-9-7-19(21(26)27)25-30(28,29)18-5-4-15-6-8-24-12-17(15)11-18/h1-6,8,10-12,19,25H,7,9,13H2,(H3,22,23)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against serine protease Coagulation factor X				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50081504 (3-[(S)-3-(Isoquinoline-7-sulfonylamino)-2-oxo-pyrr...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccncc4c3)C2=O)c1 Show InChI InChI=1S/C21H21N5O3S/c22-20(23)16-3-1-2-14(10-16)13-26-9-7-19(21(26)27)25-30(28,29)18-5-4-15-6-8-24-12-17(15)11-18/h1-6,8,10-12,19,25H,7,9,13H2,(H3,22,23)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against trypsin				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081504 (3-[(S)-3-(Isoquinoline-7-sulfonylamino)-2-oxo-pyrr...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccncc4c3)C2=O)c1 Show InChI InChI=1S/C21H21N5O3S/c22-20(23)16-3-1-2-14(10-16)13-26-9-7-19(21(26)27)25-30(28,29)18-5-4-15-6-8-24-12-17(15)11-18/h1-6,8,10-12,19,25H,7,9,13H2,(H3,22,23)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair