BDBM178865 US9125913, 437

SMILES: CN(C)CC(=O)N1CCO[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1

InChI Key: InChIKey=HFYXUVKWEYGEGH-PSXMRANNSA-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 = 178865   

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))	BDBM178865 (US9125913, 437) Show SMILES CN(C)CC(=O)N1CCO[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:53| Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)17-16-33(39(26-48)32-8-10-34(49)11-9-32)28-55-18-20-56(21-19-55)35-12-14-38(44(24-35)66-43-7-5-6-41-46(43)52-31-51-41)47(60)53-67(63,64)37-13-15-40(42(25-37)58(61)62)50-27-36-29-57(22-23-65-36)45(59)30-54(3)4/h5-15,24-25,31,36,50H,16-23,26-30H2,1-4H3,(H,51,52)(H,53,60)/t36-/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))	BDBM178865 (US9125913, 437) Show SMILES CN(C)CC(=O)N1CCO[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:53| Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)17-16-33(39(26-48)32-8-10-34(49)11-9-32)28-55-18-20-56(21-19-55)35-12-14-38(44(24-35)66-43-7-5-6-41-46(43)52-31-51-41)47(60)53-67(63,64)37-13-15-40(42(25-37)58(61)62)50-27-36-29-57(22-23-65-36)45(59)30-54(3)4/h5-15,24-25,31,36,50H,16-23,26-30H2,1-4H3,(H,51,52)(H,53,60)/t36-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.514	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