BDBM50545721 CHEMBL4641803

SMILES: CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O

InChI Key: InChIKey=VEBYKOHUNKYAFN-BGBRNYFRSA-N

Data: 1 IC50  1 EC50

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 = 50545721   

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 1A (Homo sapiens (Human))	BDBM50545721 (CHEMBL4641803) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O |r| Show InChI InChI=1S/C21H28N2O/c1-3-17(9-16-7-5-4-6-8-16)19-10-20(19)22-18-11-21(12-18)13-23(14-21)15(2)24/h4-9,18-20,22H,3,10-14H2,1-2H3/b17-9+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system using ART-K(Me1)-QTARKSTGGKAPRK...				ACS Med Chem Lett 11: 1213-1220 (2020)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545721 (CHEMBL4641803) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O |r| Show InChI InChI=1S/C21H28N2O/c1-3-17(9-16-7-5-4-6-8-16)19-10-20(19)22-18-11-21(12-18)13-23(14-21)15(2)24/h4-9,18-20,22H,3,10-14H2,1-2H3/b17-9+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020)
					More data for this Ligand-Target Pair