null

SMILES: COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O

InChI Key: InChIKey=QLBJQVJUBANQLV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50068501   

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))	BDBM50068501 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against Coagulation factor X				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50068501 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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))	BDBM50068501 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38)	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))	BDBM50068501 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38)	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