BDBM50052747 CHEMBL117444::Dimethyl-carbamic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester

SMILES: CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1

InChI Key: InChIKey=KVEJUNNTLYYMDH-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50052747   

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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50052747 (CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...) Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1 |t:6| Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50052747 (CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...) Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1 |t:6| Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50052747 (CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...) Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1 |t:6| Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50052747 (CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...) Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1 |t:6| Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair