BDBM50068498 CHEMBL342568::[4-((S)-1-Allyl-pyrrolidin-3-yloxy)-phenyl]-(2-carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-acetic acid ethyl ester

SMILES: CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1

InChI Key: InChIKey=LXPHZHBUHUZDRJ-SKCDSABHSA-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 = 50068498   

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))	BDBM50068498 (CHEMBL342568 | [4-((S)-1-Allyl-pyrrolidin-3-yloxy)...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1 Show InChI InChI=1S/C27H34N4O4/c1-3-13-30-14-12-24(18-30)34-22-8-6-20(7-9-22)25(26(32)33-4-2)35-23-10-5-19-11-15-31(27(28)29)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,28,29)/t24-,25?/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	1.00E+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))	BDBM50068498 (CHEMBL342568 | [4-((S)-1-Allyl-pyrrolidin-3-yloxy)...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1 Show InChI InChI=1S/C27H34N4O4/c1-3-13-30-14-12-24(18-30)34-22-8-6-20(7-9-22)25(26(32)33-4-2)35-23-10-5-19-11-15-31(27(28)29)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,28,29)/t24-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 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))	BDBM50068498 (CHEMBL342568 | [4-((S)-1-Allyl-pyrrolidin-3-yloxy)...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1 Show InChI InChI=1S/C27H34N4O4/c1-3-13-30-14-12-24(18-30)34-22-8-6-20(7-9-22)25(26(32)33-4-2)35-23-10-5-19-11-15-31(27(28)29)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,28,29)/t24-,25?/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	5.00E+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))	BDBM50068498 (CHEMBL342568 | [4-((S)-1-Allyl-pyrrolidin-3-yloxy)...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1 Show InChI InChI=1S/C27H34N4O4/c1-3-13-30-14-12-24(18-30)34-22-8-6-20(7-9-22)25(26(32)33-4-2)35-23-10-5-19-11-15-31(27(28)29)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,28,29)/t24-,25?/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