BDBM50397457 CHEMBL2170836

SMILES: Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1

InChI Key: InChIKey=RPXODVJZSQMEMB-RRHRGVEJSA-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 = 50397457   

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))	BDBM50397457 (CHEMBL2170836) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-35-47(50(63)64)48(49(59(35)3)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)62-30-28-61(29-31-62)41-18-16-39(17-19-41)58-72(68,69)44-20-21-45(46(33-44)71(66,67)52(54,55)56)57-40(34-70-43-10-5-4-6-11-43)22-25-60-26-23-51(2,65)24-27-60/h4-21,32-33,40,57-58,65H,22-31,34H2,1-3H3,(H,63,64)/t40-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	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))	BDBM50397457 (CHEMBL2170836) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-35-47(50(63)64)48(49(59(35)3)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)62-30-28-61(29-31-62)41-18-16-39(17-19-41)58-72(68,69)44-20-21-45(46(33-44)71(66,67)52(54,55)56)57-40(34-70-43-10-5-4-6-11-43)22-25-60-26-23-51(2,65)24-27-60/h4-21,32-33,40,57-58,65H,22-31,34H2,1-3H3,(H,63,64)/t40-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.6	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