BDBM50036060 1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-2,9-dihydro-1H-beta-carboline-8-carboxylic acid::CHEMBL174215

SMILES: CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F

InChI Key: InChIKey=PICXFJCJWZQPEA-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 = 50036060   

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))	BDBM50036060 (1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50036060 (1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40E+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 rabbit Angiotensin I converting enzyme				J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50036060 (1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+5	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 human cathepsin G.				J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR
					More data for this Ligand-Target Pair