BDBM50406194 CHEMBL145762

SMILES: O=c1oc(\C=C\c2ccccc2)nc2ccccc12

InChI Key: InChIKey=KBAXULDFOCTUNQ-ZHACJKMWSA-N

Data: 3 KI  1 K_off  1 K_on

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 = 50406194   

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))	BDBM50406194 (CHEMBL145762) Show SMILES O=c1oc(\C=C\c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	7.94E+3	n/a	n/a	n/a	n/a	0.00316	389	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Component deacylation rate constant for interaction with human leukocyte elastase				J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50406194 (CHEMBL145762) Show SMILES O=c1oc(\C=C\c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50406194 (CHEMBL145762) Show SMILES O=c1oc(\C=C\c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair