BDBM50388986 CHEMBL2063886

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1

InChI Key: InChIKey=NYDLJIKNIQGBPE-ZYIRWWKFSA-N

Data: 2 KI  3 IC50

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 5 hits for monomerid = 50388986   

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))	BDBM50388986 (CHEMBL2063886) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50388986 (CHEMBL2063886) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50388986 (CHEMBL2063886) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50388986 (CHEMBL2063886) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50388986 (CHEMBL2063886) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair