BDBM145194 US8952157, 385::US9303025, 386

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NCC(F)(F)F)nc3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=PVLMFFTWLJAWMQ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 145194   

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))	BDBM145194 (US8952157, 385 | US9303025, 386) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NCC(F)(F)F)nc3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H51ClF3N7O7S/c1-44(2)16-13-32(38(25-44)31-3-5-33(46)6-4-31)28-54-17-19-55(20-18-54)34-7-10-37(41(23-34)63-35-8-12-42(51-27-35)52-29-45(47,48)49)43(57)53-64(60,61)36-9-11-39(40(24-36)56(58)59)50-26-30-14-21-62-22-15-30/h3-12,23-24,27,30,50H,13-22,25-26,28-29H2,1-2H3,(H,51,52)(H,53,57)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-15.0	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145194 (US8952157, 385 | US9303025, 386) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NCC(F)(F)F)nc3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H51ClF3N7O7S/c1-44(2)16-13-32(38(25-44)31-3-5-33(46)6-4-31)28-54-17-19-55(20-18-54)34-7-10-37(41(23-34)63-35-8-12-42(51-27-35)52-29-45(47,48)49)43(57)53-64(60,61)36-9-11-39(40(24-36)56(58)59)50-26-30-14-21-62-22-15-30/h3-12,23-24,27,30,50H,13-22,25-26,28-29H2,1-2H3,(H,51,52)(H,53,57)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	49.3	-9.96	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US8952157 (2015) BindingDB Entry DOI: 10.7270/Q2QN65G9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145194 (US8952157, 385 | US9303025, 386) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NCC(F)(F)F)nc3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H51ClF3N7O7S/c1-44(2)16-13-32(38(25-44)31-3-5-33(46)6-4-31)28-54-17-19-55(20-18-54)34-7-10-37(41(23-34)63-35-8-12-42(51-27-35)52-29-45(47,48)49)43(57)53-64(60,61)36-9-11-39(40(24-36)56(58)59)50-26-30-14-21-62-22-15-30/h3-12,23-24,27,30,50H,13-22,25-26,28-29H2,1-2H3,(H,51,52)(H,53,57)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	49.3	-9.96	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair