BDBM50514302 CHEMBL4452527

SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key InChIKey=JKCSCHXVWPSGBG-OPKPGBGESA-N

Data  1 KI  3 Kd

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50514302   

TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50514302(CHEMBL4452527)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
Affinity DataKi:  12nMAssay Description:Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
LigandPNGBDBM50514302(CHEMBL4452527)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to recombinant human His/SUMO-tagged STAT4 (133 to 705 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50514302(CHEMBL4452527)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
Affinity DataKd:  44nMAssay Description:Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...More data for this Ligand-Target Pair
LigandPNGBDBM50514302(CHEMBL4452527)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to recombinant human His/SUMO-tagged STAT1 (132 to 713 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...More data for this Ligand-Target Pair