BDBM50441978 CHEMBL2334501

SMILES: Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1

InChI Key: InChIKey=IVYXCBVBLKBRMT-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50441978   

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 histone demethylase 1B (Homo sapiens (Human))	BDBM50441978 (CHEMBL2334501) Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 56: 8543-60 (2013) Article DOI: 10.1021/jm401002r BindingDB Entry DOI: 10.7270/Q2XD1333
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50441978 (CHEMBL2334501) Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Dissociation constant against galectin-3 using competitive fluorescence polarization				Eur J Med Chem 125: 940-951 (2017) Article DOI: 10.1016/j.ejmech.2016.10.021 BindingDB Entry DOI: 10.7270/Q2ZC8597
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50441978 (CHEMBL2334501) Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) using H3K4me2 as substrate by fluorescence assay				J Med Chem 56: 8543-60 (2013) Article DOI: 10.1021/jm401002r BindingDB Entry DOI: 10.7270/Q2XD1333
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50441978 (CHEMBL2334501) Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Binding affinity to human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) by microscale thermophoresis assay				J Med Chem 56: 8543-60 (2013) Article DOI: 10.1021/jm401002r BindingDB Entry DOI: 10.7270/Q2XD1333
					More data for this Ligand-Target Pair