BDBM50397464 CHEMBL2170846

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=KTZZLEDQJJPACQ-DIPNUNPCSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50397464   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50397464 (CHEMBL2170846) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H50ClF3N6O6S3/c1-32-44(47(59)60)45(46(56(32)4)33-13-15-35(49)16-14-33)34-9-8-10-39(29-34)58-27-25-57(26-28-58)38-19-17-36(18-20-38)54-67(63,64)41-21-22-42(43(30-41)66(61,62)48(50,51)52)53-37(23-24-55(2)3)31-65-40-11-6-5-7-12-40/h5-22,29-30,37,53-54H,23-28,31H2,1-4H3,(H,59,60)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50397464 (CHEMBL2170846) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H50ClF3N6O6S3/c1-32-44(47(59)60)45(46(56(32)4)33-13-15-35(49)16-14-33)34-9-8-10-39(29-34)58-27-25-57(26-28-58)38-19-17-36(18-20-38)54-67(63,64)41-21-22-42(43(30-41)66(61,62)48(50,51)52)53-37(23-24-55(2)3)31-65-40-11-6-5-7-12-40/h5-22,29-30,37,53-54H,23-28,31H2,1-4H3,(H,59,60)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair