BDBM50068505 (2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-[4-((S)-pyrrolidin-3-yloxy)-phenyl]-acetic acid ethyl ester::CHEMBL144079

SMILES: CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1

InChI Key: InChIKey=OWKHETGLSIQENA-HMTLIYDFSA-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 = 50068505   

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))	BDBM50068505 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	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))	BDBM50068505 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+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
Plasminogen (Homo sapiens (Human))	BDBM50068505 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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
Prothrombin (Homo sapiens (Human))	BDBM50068505 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1	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
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