BindingDB PrimarySearch

BDBM50505574 CHEMBL4451634

SMILES: CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12

InChI Key: InChIKey=XPEJZXWPKDAYFX-UHFFFAOYSA-N

Data: 1 IC50 6 Kd 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50505574
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Spindlin-2B (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN2B (45 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation consta...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of C-terminal Halotag-histone 3.3 tagged SPIN1 (unknown origin) transfected in human U2OS cells cotransfected with nano-luciferase at 1 uM...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-3 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN3 (27 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-4 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN4 (36 to 249 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubat...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)