Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136299' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50136299
(CHEMBL3752992)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](CCCCN=[N+]=[N-])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](CC#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/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/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
| Article PubMed
| 5.02E+4 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136299
(CHEMBL3752992)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](CCCCN=[N+]=[N-])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](CC#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/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/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
| Article PubMed
| n/a | n/a | 1.37E+5 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this Ligand-Target Pair | |