BDBM50136314 CHEMBL3752069

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=IFZYACLAXSUXIA-XLHTUFDUSA-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 = 50136314   

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))	BDBM50136314 (CHEMBL3752069) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H135N19O22S2/c1-16-41(6)59(94-78(119)63(47(12)102)97-77(118)60(44(9)99)85-48(13)103)74(115)82-37-58(104)86-52(28-32-120-14)68(109)89-53(29-33-121-15)70(111)96-62(46(11)101)76(117)91-54(34-39(2)3)71(112)87-50(26-20-22-30-79)67(108)84-42(7)65(106)83-43(8)66(107)90-56(36-49-24-18-17-19-25-49)73(114)88-51(27-21-23-31-80)69(110)95-61(45(10)100)75(116)92-55(35-40(4)5)72(113)93-57(38-98)64(81)105/h17-19,24-25,39-47,50-57,59-63,98-102H,16,20-23,26-38,79-80H2,1-15H3,(H2,81,105)(H,82,115)(H,83,106)(H,84,108)(H,85,103)(H,86,104)(H,87,112)(H,88,114)(H,89,109)(H,90,107)(H,91,117)(H,92,116)(H,93,113)(H,94,119)(H,95,110)(H,96,111)(H,97,118)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	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))	BDBM50136314 (CHEMBL3752069) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H135N19O22S2/c1-16-41(6)59(94-78(119)63(47(12)102)97-77(118)60(44(9)99)85-48(13)103)74(115)82-37-58(104)86-52(28-32-120-14)68(109)89-53(29-33-121-15)70(111)96-62(46(11)101)76(117)91-54(34-39(2)3)71(112)87-50(26-20-22-30-79)67(108)84-42(7)65(106)83-43(8)66(107)90-56(36-49-24-18-17-19-25-49)73(114)88-51(27-21-23-31-80)69(110)95-61(45(10)100)75(116)92-55(35-40(4)5)72(113)93-57(38-98)64(81)105/h17-19,24-25,39-47,50-57,59-63,98-102H,16,20-23,26-38,79-80H2,1-15H3,(H2,81,105)(H,82,115)(H,83,106)(H,84,108)(H,85,103)(H,86,104)(H,87,112)(H,88,114)(H,89,109)(H,90,107)(H,91,117)(H,92,116)(H,93,113)(H,94,119)(H,95,110)(H,96,111)(H,97,118)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+3	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