null

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

InChI Key: InChIKey=NIOPGFLOQNHRPP-AREMUKBSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50181880   

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))	BDBM50181880 (4-((R)-4-dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C33H43N5O5S2/c1-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)35-45(42,43)29-16-17-30(31(23-29)38(40)41)34-26(9-8-20-36(3)4)24-44-28-10-6-5-7-11-28/h5-7,10-17,23,26,34H,8-9,18-22,24H2,1-4H3,(H,35,39)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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))	BDBM50181880 (4-((R)-4-dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C33H43N5O5S2/c1-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)35-45(42,43)29-16-17-30(31(23-29)38(40)41)34-26(9-8-20-36(3)4)24-44-28-10-6-5-7-11-28/h5-7,10-17,23,26,34H,8-9,18-22,24H2,1-4H3,(H,35,39)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	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))	BDBM50181880 (4-((R)-4-dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C33H43N5O5S2/c1-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)35-45(42,43)29-16-17-30(31(23-29)38(40)41)34-26(9-8-20-36(3)4)24-44-28-10-6-5-7-11-28/h5-7,10-17,23,26,34H,8-9,18-22,24H2,1-4H3,(H,35,39)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	728	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))	BDBM50181880 (4-((R)-4-dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C33H43N5O5S2/c1-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)35-45(42,43)29-16-17-30(31(23-29)38(40)41)34-26(9-8-20-36(3)4)24-44-28-10-6-5-7-11-28/h5-7,10-17,23,26,34H,8-9,18-22,24H2,1-4H3,(H,35,39)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	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))	BDBM50181880 (4-((R)-4-dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 Show InChI InChI=1S/C33H43N5O5S2/c1-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)35-45(42,43)29-16-17-30(31(23-29)38(40)41)34-26(9-8-20-36(3)4)24-44-28-10-6-5-7-11-28/h5-7,10-17,23,26,34H,8-9,18-22,24H2,1-4H3,(H,35,39)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+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