BDBM50036078 1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-2,9-dihydro-1H-beta-carboline-8-carboxylic acid::CHEMBL277905

SMILES: CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F

InChI Key: InChIKey=KONBPLQODFVTJW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50036078   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50036078 (1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...) Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F Show InChI InChI=1S/C26H22F3N3O5/c1-13(2)20(23(34)26(27,28)29)30-19(33)12-32-18(14-7-4-3-5-8-14)11-17-15-9-6-10-16(25(36)37)21(15)31-22(17)24(32)35/h3-11,13,20,35H,12H2,1-2H3,(H,30,33)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50036078 (1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...) Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F Show InChI InChI=1S/C26H22F3N3O5/c1-13(2)20(23(34)26(27,28)29)30-19(33)12-32-18(14-7-4-3-5-8-14)11-17-15-9-6-10-16(25(36)37)21(15)31-22(17)24(32)35/h3-11,13,20,35H,12H2,1-2H3,(H,30,33)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA				J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50036078 (1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...) Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F Show InChI InChI=1S/C26H22F3N3O5/c1-13(2)20(23(34)26(27,28)29)30-19(33)12-32-18(14-7-4-3-5-8-14)11-17-15-9-6-10-16(25(36)37)21(15)31-22(17)24(32)35/h3-11,13,20,35H,12H2,1-2H3,(H,30,33)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against bovine chymotrypsin				J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR
					More data for this Ligand-Target Pair