BDBM50136301 CHEMBL3753586

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](CCCCN)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=GCLFKOXZXPYQPB-FDVAGHMYSA-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 = 50136301   

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))	BDBM50136301 (CHEMBL3753586) 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](CCCCN)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/C81H142N20O22S2/c1-15-44(6)62(98-81(123)66(49(11)106)101-80(122)63(46(8)103)88-50(12)107)77(119)86-40-61(108)89-55(30-35-124-13)71(113)93-56(31-36-125-14)73(115)100-65(48(10)105)79(121)95-57(37-42(2)3)74(116)91-53(28-20-23-33-83)70(112)90-52(27-19-22-32-82)69(111)87-45(7)68(110)94-59(39-51-25-17-16-18-26-51)76(118)92-54(29-21-24-34-84)72(114)99-64(47(9)104)78(120)96-58(38-43(4)5)75(117)97-60(41-102)67(85)109/h16-18,25-26,42-49,52-60,62-66,102-106H,15,19-24,27-41,82-84H2,1-14H3,(H2,85,109)(H,86,119)(H,87,111)(H,88,107)(H,89,108)(H,90,112)(H,91,116)(H,92,118)(H,93,113)(H,94,110)(H,95,121)(H,96,120)(H,97,117)(H,98,123)(H,99,114)(H,100,115)(H,101,122)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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))	BDBM50136301 (CHEMBL3753586) 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](CCCCN)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/C81H142N20O22S2/c1-15-44(6)62(98-81(123)66(49(11)106)101-80(122)63(46(8)103)88-50(12)107)77(119)86-40-61(108)89-55(30-35-124-13)71(113)93-56(31-36-125-14)73(115)100-65(48(10)105)79(121)95-57(37-42(2)3)74(116)91-53(28-20-23-33-83)70(112)90-52(27-19-22-32-82)69(111)87-45(7)68(110)94-59(39-51-25-17-16-18-26-51)76(118)92-54(29-21-24-34-84)72(114)99-64(47(9)104)78(120)96-58(38-43(4)5)75(117)97-60(41-102)67(85)109/h16-18,25-26,42-49,52-60,62-66,102-106H,15,19-24,27-41,82-84H2,1-14H3,(H2,85,109)(H,86,119)(H,87,111)(H,88,107)(H,89,108)(H,90,112)(H,91,116)(H,92,118)(H,93,113)(H,94,110)(H,95,121)(H,96,120)(H,97,117)(H,98,123)(H,99,114)(H,100,115)(H,101,122)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38E+4	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