Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 60814   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM60814 (US10213433, Compound 81 | US11369599, Compound 81 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58| Show InChI InChI=1S/C44H48ClN7O8S2/c1-44(2)15-11-31(38(26-44)29-3-5-32(45)6-4-29)28-50-17-19-51(20-18-50)34-7-9-37(41(24-34)60-35-23-30-12-16-46-42(30)47-27-35)43(53)49-62(58,59)36-8-10-39(40(25-36)52(54)55)48-33-13-21-61(56,57)22-14-33/h3-10,12,16,23-25,27,33,48H,11,13-15,17-22,26,28H2,1-2H3,(H,46,47)(H,49,53)	PDB UniProtKB/SwissProt antibodypedia 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-2 (Homo sapiens (Human))	US20240043404, Example 81 (US10213433, Compound 81 | US11369599, Compound 81 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58| Show InChI InChI=1S/C44H48ClN7O8S2/c1-44(2)15-11-31(38(26-44)29-3-5-32(45)6-4-29)28-50-17-19-51(20-18-50)34-7-9-37(41(24-34)60-35-23-30-12-16-46-42(30)47-27-35)43(53)49-62(58,59)36-8-10-39(40(25-36)52(54)55)48-33-13-21-61(56,57)22-14-33/h3-10,12,16,23-25,27,33,48H,11,13-15,17-22,26,28H2,1-2H3,(H,46,47)(H,49,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM60814 (US10213433, Compound 81 | US11369599, Compound 81 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58| Show InChI InChI=1S/C44H48ClN7O8S2/c1-44(2)15-11-31(38(26-44)29-3-5-32(45)6-4-29)28-50-17-19-51(20-18-50)34-7-9-37(41(24-34)60-35-23-30-12-16-46-42(30)47-27-35)43(53)49-62(58,59)36-8-10-39(40(25-36)52(54)55)48-33-13-21-61(56,57)22-14-33/h3-10,12,16,23-25,27,33,48H,11,13-15,17-22,26,28H2,1-2H3,(H,46,47)(H,49,53)	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J59
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM60814 (US10213433, Compound 81 | US11369599, Compound 81 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58| Show InChI InChI=1S/C44H48ClN7O8S2/c1-44(2)15-11-31(38(26-44)29-3-5-32(45)6-4-29)28-50-17-19-51(20-18-50)34-7-9-37(41(24-34)60-35-23-30-12-16-46-42(30)47-27-35)43(53)49-62(58,59)36-8-10-39(40(25-36)52(54)55)48-33-13-21-61(56,57)22-14-33/h3-10,12,16,23-25,27,33,48H,11,13-15,17-22,26,28H2,1-2H3,(H,46,47)(H,49,53)	PDB UniProtKB/SwissProt antibodypedia 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 TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.				US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6
					More data for this Ligand-Target Pair