BDBM178857 US9125913, 429

SMILES: COCCOCCN1CC[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=FNRIJQKPGKIOAW-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 = 178857   

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))	BDBM178857 (US9125913, 429) Show SMILES COCCOCCN1CC[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:54| Show InChI InChI=1S/C48H57ClN8O8S/c1-48(2)17-15-34(40(29-48)33-7-9-35(49)10-8-33)30-55-19-21-56(22-20-55)37-11-13-39(45(27-37)65-44-6-4-5-42-46(44)51-32-50-42)47(58)53-66(61,62)38-12-14-41(43(28-38)57(59)60)52-36-16-18-54(31-36)23-24-64-26-25-63-3/h4-14,27-28,32,36,52H,15-26,29-31H2,1-3H3,(H,50,51)(H,53,58)/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))	BDBM178857 (US9125913, 429) Show SMILES COCCOCCN1CC[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:54| Show InChI InChI=1S/C48H57ClN8O8S/c1-48(2)17-15-34(40(29-48)33-7-9-35(49)10-8-33)30-55-19-21-56(22-20-55)37-11-13-39(45(27-37)65-44-6-4-5-42-46(44)51-32-50-42)47(58)53-66(61,62)38-12-14-41(43(28-38)57(59)60)52-36-16-18-54(31-36)23-24-64-26-25-63-3/h4-14,27-28,32,36,52H,15-26,29-31H2,1-3H3,(H,50,51)(H,53,58)/t36-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.41	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