BDBM50157339 4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxymethyl)-1-pyrimidin-4-yl-piperidine-4-carboxylic acid; dihydrochloride::CHEMBL195428::CHEMBL534707

SMILES: NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1

InChI Key: InChIKey=JWLSDQDQMONZNQ-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50157339   

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))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Trypsin II (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Trypsin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Plasmin				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50157339 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair