BDBM50498686 CHEMBL3621863

SMILES: OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1

InChI Key: InChIKey=CIUXWFJDEFQEFY-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 = 50498686   

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 3A (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) using H3(1-21)K9Me2-GGK-biotin substrate incubated for 5 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5C (unknown origin) using H3(1-21)K4Me3-GGK-biotin substrate incubated for 20 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) using H3(21-44)K27Me3-GK-biotin substrate incubated for 5 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM2A (unknown origin) using Biotin-H3(28-48)K36Me2 and H3(28-48)K36Me2 substrates incubated for 30 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50498686 (CHEMBL3621863) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H21N5O3/c27-20(12-15-4-2-1-3-5-15)25-10-7-17(8-11-25)26-14-19(23-24-26)18-13-16(21(28)29)6-9-22-18/h1-6,9,13-14,17H,7-8,10-12H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate incubated for 15 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
					More data for this Ligand-Target Pair