BDBM50463170 CHEMBL4239759

SMILES: COc1ccc(cc1)C1=C(Cl)C(=O)c2ccc(cc12)-c1ccc(C)cc1

InChI Key: InChIKey=DXSWUJXOZNEYKE-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50463170   

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
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 (Homo sapiens (Human))	BDBM50463170 (CHEMBL4239759) Show SMILES COc1ccc(cc1)C1=C(Cl)C(=O)c2ccc(cc12)-c1ccc(C)cc1 |c:9| Show InChI InChI=1S/C23H17ClO2/c1-14-3-5-15(6-4-14)17-9-12-19-20(13-17)21(22(24)23(19)25)16-7-10-18(26-2)11-8-16/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Hyderabad Curated by ChEMBL					Assay Description Inhibition of recombinant human AlkBH3 assessed as reduction in formaldehyde release using 40-mer single N3-meC as substrate incubated for 60 mins fo...				Bioorg Med Chem 26: 4100-4112 (2018) Article DOI: 10.1016/j.bmc.2018.06.040 BindingDB Entry DOI: 10.7270/Q22B91PG
					More data for this Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 (Homo sapiens (Human))	BDBM50463170 (CHEMBL4239759) Show SMILES COc1ccc(cc1)C1=C(Cl)C(=O)c2ccc(cc12)-c1ccc(C)cc1 |c:9| Show InChI InChI=1S/C23H17ClO2/c1-14-3-5-15(6-4-14)17-9-12-19-20(13-17)21(22(24)23(19)25)16-7-10-18(26-2)11-8-16/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Hyderabad Curated by ChEMBL					Assay Description Binding affinity to recombinant human AlkBH3 incubated for 2 mins by isothermal titration calorimetric method				Bioorg Med Chem 26: 4100-4112 (2018) Article DOI: 10.1016/j.bmc.2018.06.040 BindingDB Entry DOI: 10.7270/Q22B91PG
					More data for this Ligand-Target Pair