BDBM50542723 CHEMBL4643449

SMILES: CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1

InChI Key: InChIKey=WQVBAYOMZJYFJK-HSZRJFAPSA-N

Data: 19 IC50

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 19 hits for monomerid = 50542723   

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 XI (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human uPA using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by Qpatch assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal human plasma F11a catalytic domain expressed in Escherichia coli strain BL21(DE3) using D-Leu-Pro-Arg*Rh110-D-Pro as substra...				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Thrombin and coagulation factor VII (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F7a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Coagulation factor IX/VIII (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F9a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F10a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human thrombin using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human tPa using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human plasmin using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human urokinase using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PDE4D (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of VMAT2 (unknown origin)				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50542723 (CHEMBL4643449) Show SMILES CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H27NO4/c1-16(2)20-9-17(14-30-24-6-4-3-5-19(24)13-26(28)29)10-21(11-20)18-7-8-25-22(12-18)23(27)15-31-25/h3-12,16,23H,13-15,27H2,1-2H3,(H,28,29)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human complement FD by TR-FRET assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair