BDBM50136317 CHEMBL3752190

SMILES: CSCCC(NC(=O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2

InChI Key: InChIKey=VPBUZNDKSUSUTR-OFWZDUSQSA-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 = 50136317   

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))	BDBM50136317 (CHEMBL3752190) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C89H138N22O21S2/c1-48(2)39-65(84(127)106-70(47-112)75(92)118)102-86(129)69-44-59-46-111(110-109-59)36-22-19-29-60(78(121)94-50(5)76(119)101-68(42-55-23-13-12-14-24-55)85(128)99-62(80(123)103-69)28-18-21-35-91)97-79(122)61(27-17-20-34-90)98-83(126)66(40-49(3)4)104-87(130)73(52(7)114)107-82(125)64(33-38-134-11)100-81(124)63(32-37-133-10)96-71(117)45-93-77(120)67(43-56-30-31-57-25-15-16-26-58(57)41-56)105-88(131)74(53(8)115)108-89(132)72(51(6)113)95-54(9)116/h12-16,23-26,30-31,41,46,48-53,60-70,72-74,112-115H,17-22,27-29,32-40,42-45,47,90-91H2,1-11H3,(H2,92,118)(H,93,120)(H,94,121)(H,95,116)(H,96,117)(H,97,122)(H,98,126)(H,99,128)(H,100,124)(H,101,119)(H,102,129)(H,103,123)(H,104,130)(H,105,131)(H,106,127)(H,107,125)(H,108,132)/t50?,51-,52-,53-,60+,61+,62+,63+,64+,65+,66+,67?,68+,69-,70+,72+,73+,74+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	16	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))	BDBM50136317 (CHEMBL3752190) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C89H138N22O21S2/c1-48(2)39-65(84(127)106-70(47-112)75(92)118)102-86(129)69-44-59-46-111(110-109-59)36-22-19-29-60(78(121)94-50(5)76(119)101-68(42-55-23-13-12-14-24-55)85(128)99-62(80(123)103-69)28-18-21-35-91)97-79(122)61(27-17-20-34-90)98-83(126)66(40-49(3)4)104-87(130)73(52(7)114)107-82(125)64(33-38-134-11)100-81(124)63(32-37-133-10)96-71(117)45-93-77(120)67(43-56-30-31-57-25-15-16-26-58(57)41-56)105-88(131)74(53(8)115)108-89(132)72(51(6)113)95-54(9)116/h12-16,23-26,30-31,41,46,48-53,60-70,72-74,112-115H,17-22,27-29,32-40,42-45,47,90-91H2,1-11H3,(H2,92,118)(H,93,120)(H,94,121)(H,95,116)(H,96,117)(H,97,122)(H,98,126)(H,99,128)(H,100,124)(H,101,119)(H,102,129)(H,103,123)(H,104,130)(H,105,131)(H,106,127)(H,107,125)(H,108,132)/t50?,51-,52-,53-,60+,61+,62+,63+,64+,65+,66+,67?,68+,69-,70+,72+,73+,74+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	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