BDBM50181894 CHEMBL378820::N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-4-((S)-3-morpholin-4-yl-1-phenylsulfanylmethylpropylamino)-3-nitrobenzenesulfonamide

SMILES: CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=NLJIRQSWGBPYHN-MHZLTWQESA-N

Data: 3 KI  2 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 5 hits for monomerid = 50181894   

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))	BDBM50181894 (CHEMBL378820 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)/t27-/m0/s1	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	75	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))	BDBM50181894 (CHEMBL378820 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	732	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))	BDBM50181894 (CHEMBL378820 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)/t27-/m0/s1	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	6.05E+3	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-2-like protein 1 (Homo sapiens (Human))	BDBM50181894 (CHEMBL378820 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)/t27-/m0/s1	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	n/a	n/a	n/a	n/a	9.31E+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
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181894 (CHEMBL378820 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)/t27-/m0/s1	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	n/a	n/a	n/a	n/a	4.20E+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 gelatin				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