BDBM50181877 4-((R)-5-dimethylamino-1-phenylsulfanylmethylpentylamino)-N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-3-nitrobenzenesulfonamide::CHEMBL370835

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

InChI Key: InChIKey=DCUPDSTXISCXNY-HHHXNRCGSA-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 = 50181877   

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))	BDBM50181877 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C34H45N5O5S2/c1-34(2)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-46(43,44)30-17-18-31(32(24-30)39(41)42)35-27(10-8-9-21-37(3)4)25-45-29-11-6-5-7-12-29/h5-7,11-18,24,27,35H,8-10,19-23,25H2,1-4H3,(H,36,40)/t27-/m1/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	1.20	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))	BDBM50181877 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C34H45N5O5S2/c1-34(2)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-46(43,44)30-17-18-31(32(24-30)39(41)42)35-27(10-8-9-21-37(3)4)25-45-29-11-6-5-7-12-29/h5-7,11-18,24,27,35H,8-10,19-23,25H2,1-4H3,(H,36,40)/t27-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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))	BDBM50181877 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C34H45N5O5S2/c1-34(2)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-46(43,44)30-17-18-31(32(24-30)39(41)42)35-27(10-8-9-21-37(3)4)25-45-29-11-6-5-7-12-29/h5-7,11-18,24,27,35H,8-10,19-23,25H2,1-4H3,(H,36,40)/t27-/m1/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	174	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))	BDBM50181877 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C34H45N5O5S2/c1-34(2)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-46(43,44)30-17-18-31(32(24-30)39(41)42)35-27(10-8-9-21-37(3)4)25-45-29-11-6-5-7-12-29/h5-7,11-18,24,27,35H,8-10,19-23,25H2,1-4H3,(H,36,40)/t27-/m1/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	1.08E+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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181877 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C34H45N5O5S2/c1-34(2)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-46(43,44)30-17-18-31(32(24-30)39(41)42)35-27(10-8-9-21-37(3)4)25-45-29-11-6-5-7-12-29/h5-7,11-18,24,27,35H,8-10,19-23,25H2,1-4H3,(H,36,40)/t27-/m1/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	3.89E+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