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5 similar compounds to monomer 50176904

Compile data set for download or QSAR
Wt: 334.4
BDBM50264535
Wt: 1804.8
BDBM50176910
Wt: 435.6
BDBM50176905
Wt: 451.5
BDBM50176902

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50264535,50176910,50176905,50176902   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176902
PNG
(CHEMBL3813974)
Show SMILES Cc1c(\C=N\N2Cc3[nH]c4ccccc4c3N=C2)c(=O)oc2c3CCCN4CCCc(cc12)c34
Show InChI InChI=1S/C27H25N5O2/c1-16-20-12-17-6-4-10-31-11-5-8-19(25(17)31)26(20)34-27(33)21(16)13-29-32-14-23-24(28-15-32)18-7-2-3-9-22(18)30-23/h2-3,7,9,12-13,15,30H,4-6,8,10-11,14H2,1H3/b29-13+
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1.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50176910
PNG
(CHEMBL3814608)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C1=O)[C@@H](C)O)C(C)(C)C
Show InChI InChI=1S/C79H111BrN20O22S/c1-40(2)61(94-71(112)57-23-17-31-100(57)76(117)53(91-65(106)41(3)87-39-101)33-45-24-26-47(80)27-25-45)72(113)97-64(79(6,7)8)74(115)90-52(34-46-36-86-49-21-15-14-20-48(46)49)67(108)88-50(22-16-30-85-78(83)84)66(107)93-55(38-123(119,120)121)69(110)96-63-43(5)122-60(105)37-98(9)75(116)54(35-59(82)104)92-73(114)62(42(4)102)95-68(109)51(32-44-18-12-11-13-19-44)89-70(111)56(28-29-58(81)103)99(10)77(63)118/h11-15,18-21,24-27,36,39-43,50-57,61-64,86,102H,16-17,22-23,28-35,37-38H2,1-10H3,(H2,81,103)(H2,82,104)(H,87,101)(H,88,108)(H,89,111)(H,90,115)(H,91,106)(H,92,114)(H,93,107)(H,94,112)(H,95,109)(H,96,110)(H,97,113)(H4,83,84,85)(H,119,120,121)/t41-,42-,43-,50+,51-,52-,53+,54+,55-,56+,57+,61-,62+,63+,64-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced receptor transactivation after 24 hrs by luciferase r...


J Nat Prod 79: 499-506 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00871
BindingDB Entry DOI: 10.7270/Q2KD20V0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176905
PNG
(CHEMBL3814345)
Show SMILES CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1)CC1CCCCC1
Show InChI InChI=1S/C23H37N3O3S/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19/h7,10,12,15,18,20H,4-6,8-9,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50264535
PNG
(CHEMBL482414 | N-(5-N-Methyl-benzofuro[3,2-b]quino...)
Show SMILES CN(C)CCC\[NH+]=c1/c2oc3ccccc3c2n(C)c2ccccc12
Show InChI InChI=1S/C21H23N3O/c1-23(2)14-8-13-22-19-15-9-4-6-11-17(15)24(3)20-16-10-5-7-12-18(16)25-21(19)20/h4-7,9-12H,8,13-14H2,1-3H3/p+1/b22-19-
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n/an/a 370n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay


J Med Chem 51: 6381-92 (2008)


Article DOI: 10.1021/jm800497p
BindingDB Entry DOI: 10.7270/Q2319VQ2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176905
PNG
(CHEMBL3814345)
Show SMILES CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1)CC1CCCCC1
Show InChI InChI=1S/C23H37N3O3S/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19/h7,10,12,15,18,20H,4-6,8-9,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair