BDBM50513352 CHEMBL4592908

SMILES: O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1

InChI Key: InChIKey=BSWSHYUVWCPTHU-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50513352   

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 6B (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) by Alphascreen assay				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4B (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus infected Sf9 insect cells assessed as decrea...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of KDM2A (unknown origin) by Alphascreen assay				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) by Alphascreen assay				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of KDM5C (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair