BDBM50545729 CHEMBL4646795

SMILES: [H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO

InChI Key: InChIKey=RATYCEWVKCGROT-QJFVFMSBSA-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 = 50545729   

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))	BDBM50545729 (CHEMBL4646795) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(68.49,-7.91,;68.49,-9.45,;68.49,-11,;67.16,-11.76,;65.83,-11,;65.83,-12.54,;65.83,-9.45,;67.16,-8.68,;64.5,-11.76,;63.16,-11,;62.39,-9.66,;61.62,-11,;60.29,-11.76,;60.29,-13.3,;58.95,-11,;57.62,-11.76,;56.28,-10.99,;54.96,-11.77,;54.96,-13.3,;56.3,-14.07,;57.62,-13.3,;69.83,-8.68,;71.16,-9.45,;72.5,-8.68,;73.83,-9.45,)| Show InChI InChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17-,18-,19-,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	2.60	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))	BDBM50545729 (CHEMBL4646795) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(68.49,-7.91,;68.49,-9.45,;68.49,-11,;67.16,-11.76,;65.83,-11,;65.83,-12.54,;65.83,-9.45,;67.16,-8.68,;64.5,-11.76,;63.16,-11,;62.39,-9.66,;61.62,-11,;60.29,-11.76,;60.29,-13.3,;58.95,-11,;57.62,-11.76,;56.28,-10.99,;54.96,-11.77,;54.96,-13.3,;56.3,-14.07,;57.62,-13.3,;69.83,-8.68,;71.16,-9.45,;72.5,-8.68,;73.83,-9.45,)| Show InChI InChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17-,18-,19-,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	52	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