BDBM50136306 CHEMBL3754019

SMILES: [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)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)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

InChI Key: InChIKey=VJTOGOYUUBCPJL-FRABQULYSA-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 = 50136306   

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))	BDBM50136306 (CHEMBL3754019) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)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)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	1.32E+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) BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136306 (CHEMBL3754019) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)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)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.65E+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