BDBM50542730 CHEMBL4647909

SMILES: CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1

InChI Key: InChIKey=ZDMYKWNIEWNTLR-HSZRJFAPSA-N

Data: 11 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 11 hits for monomerid = 50542730   

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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	6	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
Complement factor D (Homo sapiens (Human))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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 complement FD by TR-FRET assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	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 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
Coagulation factor XI (Homo sapiens (Human))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	260	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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	7.50E+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 F7a 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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	950	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
Coagulation factor X (Homo sapiens (Human))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	4.30E+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 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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	860	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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	190	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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	1.40E+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 plasmin 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))	BDBM50542730 (CHEMBL4647909) Show SMILES CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C28H29NO5/c1-28(2)16-34-27-20(15-33-24-6-4-3-5-18(24)14-26(30)31)11-19(13-22(27)28)17-7-8-25-21(12-17)23(29)9-10-32-25/h3-8,11-13,23H,9-10,14-16,29H2,1-2H3,(H,30,31)/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	1.60E+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 F9a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair