BDBM50136300 CHEMBL3752803

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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=YMMJMPTZFMREIO-SBWGZAQBSA-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 = 50136300   

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))	BDBM50136300 (CHEMBL3752803) 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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C80H140N20O21S2/c1-15-44(6)62(98-80(121)65(49(11)104)100-79(120)63(47(9)102)88-50(12)105)77(118)85-40-61(106)89-55(30-35-122-13)72(113)93-56(31-36-123-14)73(114)99-64(48(10)103)78(119)96-58(38-43(4)5)74(115)91-52(27-19-22-32-81)69(110)87-45(7)67(108)86-46(8)68(109)94-59(39-51-25-17-16-18-26-51)76(117)92-53(28-20-23-33-82)70(111)90-54(29-21-24-34-83)71(112)95-57(37-42(2)3)75(116)97-60(41-101)66(84)107/h16-18,25-26,42-49,52-60,62-65,101-104H,15,19-24,27-41,81-83H2,1-14H3,(H2,84,107)(H,85,118)(H,86,108)(H,87,110)(H,88,105)(H,89,106)(H,90,111)(H,91,115)(H,92,117)(H,93,113)(H,94,109)(H,95,112)(H,96,119)(H,97,116)(H,98,121)(H,99,114)(H,100,120)/t44-,45-,46-,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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))	BDBM50136300 (CHEMBL3752803) 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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C80H140N20O21S2/c1-15-44(6)62(98-80(121)65(49(11)104)100-79(120)63(47(9)102)88-50(12)105)77(118)85-40-61(106)89-55(30-35-122-13)72(113)93-56(31-36-123-14)73(114)99-64(48(10)103)78(119)96-58(38-43(4)5)74(115)91-52(27-19-22-32-81)69(110)87-45(7)67(108)86-46(8)68(109)94-59(39-51-25-17-16-18-26-51)76(117)92-53(28-20-23-33-82)70(111)90-54(29-21-24-34-83)71(112)95-57(37-42(2)3)75(116)97-60(41-101)66(84)107/h16-18,25-26,42-49,52-60,62-65,101-104H,15,19-24,27-41,81-83H2,1-14H3,(H2,84,107)(H,85,118)(H,86,108)(H,87,110)(H,88,105)(H,89,106)(H,90,111)(H,91,115)(H,92,117)(H,93,113)(H,94,109)(H,95,112)(H,96,119)(H,97,116)(H,98,121)(H,99,114)(H,100,120)/t44-,45-,46-,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+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