BDBM50068503 (2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-[4-(piperidin-4-yloxy)-phenyl]-acetic acid ethyl ester::CHEMBL147436

SMILES: CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1

InChI Key: InChIKey=GAHLUDHIYSFPBN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50068503   

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))	BDBM50068503 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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 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
Trypsin II (Homo sapiens (Human))	BDBM50068503 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 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))	BDBM50068503 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	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
Plasminogen (Homo sapiens (Human))	BDBM50068503 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	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 plasmin				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