BDBM50542737 CHEMBL4645908

SMILES: CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1

InChI Key: InChIKey=HMEJIACTKDVITD-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 = 50542737   

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))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	15	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
Coagulation factor XI (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	5.49E+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 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))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	2.05E+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
Coagulation factor IX/VIII (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	9.60E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	1.11E+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 F10a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.42E+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))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	21	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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	3.67E+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 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))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	3.40E+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
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/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	930	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
Prothrombin (Homo sapiens (Human))	BDBM50542737 (CHEMBL4645908) Show SMILES CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| Show InChI InChI=1S/C26H26ClNO4/c1-15(2)18-10-16(8-9-31-25-20(26(29)30)4-3-5-22(25)27)11-19(12-18)17-6-7-24-21(13-17)23(28)14-32-24/h3-7,10-13,15,23H,8-9,14,28H2,1-2H3,(H,29,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.22E+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 thrombin using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020)
					More data for this Ligand-Target Pair