BDBM50181873 CHEMBL383229::N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

SMILES: CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=TZOBOAHCWXVNEO-UHFFFAOYSA-N

Data: 3 KI

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 4 hits for monomerid = 50181873   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	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
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	652	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
					More data for this Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair