BDBM50149920 CHEMBL3769724

SMILES: O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12

InChI Key: InChIKey=MWAIBIFDJOMYFN-JOCHJYFZSA-N

Data: 11 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 11 hits for monomerid = 50149920   

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))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/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	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN3 (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of full-length EGLN3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4D (unknown origin) by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM5C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/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	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM5C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50149920 (CHEMBL3769724) Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) by RFMS assay				J Med Chem 59: 1370-87 (2016) BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair