BDBM50397459 CHEMBL2170851

SMILES: Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1

InChI Key: InChIKey=AWZSYBDJTXIAFX-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 = 50397459   

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))	BDBM50397459 (CHEMBL2170851) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C49H50ClF3N6O7S3/c1-32-45(48(61)62)46(47(56(32)2)33-11-13-35(50)14-12-33)34-7-6-8-39(27-34)59-25-23-58(24-26-59)38-17-15-36(16-18-38)55-69(65,66)42-19-20-43(44(28-42)68(63,64)49(51,52)53)54-37(21-22-57-29-40(60)30-57)31-67-41-9-4-3-5-10-41/h3-20,27-28,37,40,54-55,60H,21-26,29-31H2,1-2H3,(H,61,62)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50397459 (CHEMBL2170851) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C49H50ClF3N6O7S3/c1-32-45(48(61)62)46(47(56(32)2)33-11-13-35(50)14-12-33)34-7-6-8-39(27-34)59-25-23-58(24-26-59)38-17-15-36(16-18-38)55-69(65,66)42-19-20-43(44(28-42)68(63,64)49(51,52)53)54-37(21-22-57-29-40(60)30-57)31-67-41-9-4-3-5-10-41/h3-20,27-28,37,40,54-55,60H,21-26,29-31H2,1-2H3,(H,61,62)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	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