BDBM50526845 CHEMBL4454118

SMILES: Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1

InChI Key: InChIKey=UHIJKWQUNGTSDB-UHFFFAOYSA-N

Data: 4 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 = 50526845   

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
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50526845 (CHEMBL4454118) Show SMILES Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C22H23ClN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of HO-1 in Sprague-Dawley rat spleen microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measu...				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027
					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50526845 (CHEMBL4454118) Show SMILES Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C22H23ClN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111703
					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50526845 (CHEMBL4454118) Show SMILES Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C22H23ClN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111703
					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50526845 (CHEMBL4454118) Show SMILES Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C22H23ClN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of HO-2 in Sprague-Dawley rat brain microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measur...				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027
					More data for this Ligand-Target Pair