BDBM50136316 CHEMBL3752170

SMILES: CSCCC(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2

InChI Key: InChIKey=MLNUZSGXYPHKMU-LRRCAWQHSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50136316   

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
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136316 (CHEMBL3752170) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C87H137N23O21S2/c1-46(2)37-63(82(126)105-68(45-111)73(90)117)101-84(128)67-41-55-44-110(109-108-55)34-22-19-29-58(76(120)93-48(5)74(118)100-65(39-53-23-13-12-14-24-53)83(127)98-60(78(122)102-67)28-18-21-33-89)96-77(121)59(27-17-20-32-88)97-81(125)64(38-47(3)4)103-85(129)71(50(7)113)106-80(124)62(31-36-133-11)99-79(123)61(30-35-132-10)95-69(116)43-92-75(119)66(40-54-42-91-57-26-16-15-25-56(54)57)104-86(130)72(51(8)114)107-87(131)70(49(6)112)94-52(9)115/h12-16,23-26,42,44,46-51,58-68,70-72,91,111-114H,17-22,27-41,43,45,88-89H2,1-11H3,(H2,90,117)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,121)(H,97,125)(H,98,127)(H,99,123)(H,100,118)(H,101,128)(H,102,122)(H,103,129)(H,104,130)(H,105,126)(H,106,124)(H,107,131)/t48-,49+,50+,51+,58-,59-,60-,61?,62-,63-,64-,65-,66?,67+,68-,70-,71-,72-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay				J Med Chem 59: 328-34 (2016) BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136316 (CHEMBL3752170) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C87H137N23O21S2/c1-46(2)37-63(82(126)105-68(45-111)73(90)117)101-84(128)67-41-55-44-110(109-108-55)34-22-19-29-58(76(120)93-48(5)74(118)100-65(39-53-23-13-12-14-24-53)83(127)98-60(78(122)102-67)28-18-21-33-89)96-77(121)59(27-17-20-32-88)97-81(125)64(38-47(3)4)103-85(129)71(50(7)113)106-80(124)62(31-36-133-11)99-79(123)61(30-35-132-10)95-69(116)43-92-75(119)66(40-54-42-91-57-26-16-15-25-56(54)57)104-86(130)72(51(8)114)107-87(131)70(49(6)112)94-52(9)115/h12-16,23-26,42,44,46-51,58-68,70-72,91,111-114H,17-22,27-41,43,45,88-89H2,1-11H3,(H2,90,117)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,121)(H,97,125)(H,98,127)(H,99,123)(H,100,118)(H,101,128)(H,102,122)(H,103,129)(H,104,130)(H,105,126)(H,106,124)(H,107,131)/t48-,49+,50+,51+,58-,59-,60-,61?,62-,63-,64-,65-,66?,67+,68-,70-,71-,72-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay				J Med Chem 59: 328-34 (2016) BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair