BindingDB PrimarySearch

null

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1

InChI Key: InChIKey=DWEHITNKTMMZBR-RUZDIDTESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 21400
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
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bclw				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cells				Bioorg Med Chem Lett 21: 4951-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.134 BindingDB Entry DOI: 10.7270/Q2DB8287
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog (Mus musculus (Mouse))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells				Bioorg Med Chem Lett 21: 4951-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.134 BindingDB Entry DOI: 10.7270/Q2DB8287
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Mcl1				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for human serum albumin domain III				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of gelatin				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM ...				Bioorg Med Chem Lett 21: 4951-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.134 BindingDB Entry DOI: 10.7270/Q2DB8287
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl2 by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of 3% fetal bovine serum				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Binding affinity to BCl2				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Binding affinity to Bcl-xl				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
Abbott Laboratories					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	-12.4	n/a	n/a	470	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
Abbott Laboratories					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21400 (CHEMBL192571 \| N-[(4-{[(2R)-4-(dimethylamino)-1-(p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair