BDBM178858 US9125913, 430

SMILES: CN(C)CC(=O)N1CC[C@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=IWGXFILGZJSXOB-UUWRZZSWSA-N

Data: 2 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 2 hits for monomerid = 178858   

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 (Mus musculus (Mouse))	BDBM178858 (US9125913, 430) Show SMILES CN(C)CC(=O)N1CC[C@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H54ClN9O7S/c1-47(2)18-16-32(38(26-47)31-8-10-33(48)11-9-31)27-54-20-22-55(23-21-54)35-12-14-37(43(24-35)64-42-7-5-6-40-45(42)50-30-49-40)46(59)52-65(62,63)36-13-15-39(41(25-36)57(60)61)51-34-17-19-56(28-34)44(58)29-53(3)4/h5-15,24-25,30,34,51H,16-23,26-29H2,1-4H3,(H,49,50)(H,52,59)/t34-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...				US Patent US9125913 (2015) BindingDB Entry DOI: 10.7270/Q29Z93PP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-XL (Mus musculus (Mouse))	BDBM178858 (US9125913, 430) Show SMILES CN(C)CC(=O)N1CC[C@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H54ClN9O7S/c1-47(2)18-16-32(38(26-47)31-8-10-33(48)11-9-31)27-54-20-22-55(23-21-54)35-12-14-37(43(24-35)64-42-7-5-6-40-45(42)50-30-49-40)46(59)52-65(62,63)36-13-15-39(41(25-36)57(60)61)51-34-17-19-56(28-34)44(58)29-53(3)4/h5-15,24-25,30,34,51H,16-23,26-29H2,1-4H3,(H,49,50)(H,52,59)/t34-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.998	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...				US Patent US9125913 (2015) BindingDB Entry DOI: 10.7270/Q29Z93PP
					More data for this Ligand-Target Pair