BDBM50158825 CHEMBL3785404

SMILES: Oc1nc(Oc2cnn(c2)[C@@H]2CCCN(Cc3ccccc3)C2)nc2cnccc12

InChI Key: InChIKey=CCZFELUQXWMJLX-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 50158825   

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
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158825 (CHEMBL3785404) Show SMILES Oc1nc(Oc2cnn(c2)[C@@H]2CCCN(Cc3ccccc3)C2)nc2cnccc12 |r| Show InChI InChI=1S/C22H22N6O2/c29-21-19-8-9-23-12-20(19)25-22(26-21)30-18-11-24-28(15-18)17-7-4-10-27(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14H2,(H,25,26,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal FLAG-tagged Tev-KDM4C (1 to 366 residues) (unknown origin) using K3K9me3 as substrate preincubated for 10 mins f...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158825 (CHEMBL3785404) Show SMILES Oc1nc(Oc2cnn(c2)[C@@H]2CCCN(Cc3ccccc3)C2)nc2cnccc12 |r| Show InChI InChI=1S/C22H22N6O2/c29-21-19-8-9-23-12-20(19)25-22(26-21)30-18-11-24-28(15-18)17-7-4-10-27(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14H2,(H,25,26,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158825 (CHEMBL3785404) Show SMILES Oc1nc(Oc2cnn(c2)[C@@H]2CCCN(Cc3ccccc3)C2)nc2cnccc12 |r| Show InChI InChI=1S/C22H22N6O2/c29-21-19-8-9-23-12-20(19)25-22(26-21)30-18-11-24-28(15-18)17-7-4-10-27(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14H2,(H,25,26,29)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin)				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair