BDBM50068485 (2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-(4-{1-[imino-(4-methoxy-phenyl)-methyl]-piperidin-4-yloxy}-phenyl)-acetic acid ethyl ester::CHEMBL144707

SMILES: CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=OIZIPNKDGRHAPV-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 = 50068485   

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))	BDBM50068485 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human Coagulation factor X				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068485 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human trypsin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068485 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human thrombin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair