BDBM50503769 CHEMBL4541853

SMILES: C=C=C[C@H]1CC[C@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1

InChI Key: InChIKey=MEXPNMGWMKCEES-WOVMCDHWSA-N

Data: 2 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 2 hits for monomerid = 50503769   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50503769 (CHEMBL4541853) Show SMILES C=C=C[C@H]1CC[C@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,3.2,(58.87,-5.43,;57.55,-4.66,;56.22,-3.88,;54.88,-4.64,;54.87,-6.18,;53.53,-6.93,;52.21,-6.16,;52.21,-4.62,;53.55,-3.86,;50.88,-6.92,;50.87,-8.47,;49.53,-9.24,;49.53,-10.78,;48.2,-8.46,;46.87,-9.24,;45.53,-8.47,;45.53,-6.92,;44.21,-6.17,;44.2,-4.64,;45.53,-3.86,;46.86,-4.62,;46.86,-6.15,;48.2,-6.92,;49.53,-6.14,)| Show InChI InChI=1S/C22H20O2/c1-2-5-15-8-10-17(11-9-15)21-14-20(23)19-13-12-16-6-3-4-7-18(16)22(19)24-21/h3-7,12-15,17H,1,8-11H2/t15-,17+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assay				Bioorg Med Chem 27: 285-304 (2019) Article DOI: 10.1016/j.bmc.2018.11.045
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50503769 (CHEMBL4541853) Show SMILES C=C=C[C@H]1CC[C@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,3.2,(58.87,-5.43,;57.55,-4.66,;56.22,-3.88,;54.88,-4.64,;54.87,-6.18,;53.53,-6.93,;52.21,-6.16,;52.21,-4.62,;53.55,-3.86,;50.88,-6.92,;50.87,-8.47,;49.53,-9.24,;49.53,-10.78,;48.2,-8.46,;46.87,-9.24,;45.53,-8.47,;45.53,-6.92,;44.21,-6.17,;44.2,-4.64,;45.53,-3.86,;46.86,-4.62,;46.86,-6.15,;48.2,-6.92,;49.53,-6.14,)| Show InChI InChI=1S/C22H20O2/c1-2-5-15-8-10-17(11-9-15)21-14-20(23)19-13-12-16-6-3-4-7-18(16)22(19)24-21/h3-7,12-15,17H,1,8-11H2/t15-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assay				Bioorg Med Chem 27: 285-304 (2019) Article DOI: 10.1016/j.bmc.2018.11.045
					More data for this Ligand-Target Pair