BDBM50397460 CHEMBL2170850

SMILES: Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1

InChI Key: InChIKey=MWYHHIIMXQLLQG-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 = 50397460   

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))	BDBM50397460 (CHEMBL2170850) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C51H54ClF3N6O6S3/c1-35-47(50(62)63)48(49(58(35)2)36-14-16-38(52)17-15-36)37-10-9-11-42(32-37)61-30-28-60(29-31-61)41-20-18-39(19-21-41)57-70(66,67)44-22-23-45(46(33-44)69(64,65)51(53,54)55)56-40(24-27-59-25-7-4-8-26-59)34-68-43-12-5-3-6-13-43/h3,5-6,9-23,32-33,40,56-57H,4,7-8,24-31,34H2,1-2H3,(H,62,63)/t40-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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))	BDBM50397460 (CHEMBL2170850) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C51H54ClF3N6O6S3/c1-35-47(50(62)63)48(49(58(35)2)36-14-16-38(52)17-15-36)37-10-9-11-42(32-37)61-30-28-60(29-31-61)41-20-18-39(19-21-41)57-70(66,67)44-22-23-45(46(33-44)69(64,65)51(53,54)55)56-40(24-27-59-25-7-4-8-26-59)34-68-43-12-5-3-6-13-43/h3,5-6,9-23,32-33,40,56-57H,4,7-8,24-31,34H2,1-2H3,(H,62,63)/t40-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.6	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