BindingDB logo
myBDB logout

44 similar compounds to monomer 50265689

Compile data set for download or QSAR
Wt: 4767.4
BDBM50026959
Wt: 1834.1
BDBM50172732
Wt: 1724.9
BDBM50172738
Wt: 646.6
BDBM50222360
Wt: 445.4
BDBM50241181
Wt: 1696.8
BDBM50265692
Wt: 1724.9
BDBM50265693
Wt: 1682.8
BDBM50265696
Wt: 1724.9
BDBM50265697
Wt: 1682.8
BDBM50265700
Wt: 1724.9
BDBM50265701
Wt: 1682.8
BDBM50265704
Wt: 1764.9
BDBM50265705
Wt: 1742.9
BDBM50265708
Wt: 1764.9
BDBM50265719
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50026959,50172732,50172738,50222360,50241181,50265692,50265693,50265696,50265697,50265700,50265701,50265704,50265705,50265708,50265719   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222360
PNG
(Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,16-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as inhibition of fibronectin-mediated cell adhesion after 30 mins by fl...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50241181
PNG
((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N7O7/c1-8(2)13(16(30)31)24-15(29)10(6-12(26)27)23-11(25)7-22-14(28)9(18)4-3-5-21-17(19)20/h8-10,13H,3-7,18H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)(H,26,27)(H,30,31)(H4,19,20,21)/t9-,10-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fibrinogen binding to activated human platelets


Citation and Details

Article DOI: 10.1016/S0960-894X(97)00311-9
BindingDB Entry DOI: 10.7270/Q2J104GV
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 2


(Homo sapiens (Human))
BDBM50026959
PNG
(CHEMBL2370916)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C211H362N58O66/c1-29-35-50-117(232-174(300)118(51-36-41-78-212)233-178(304)122(56-46-83-228-210(223)224)237-188(314)133(87-102(7)8)250-191(317)136(90-105(13)14)249-185(311)129(66-75-159(286)287)244-189(315)134(88-103(9)10)254-199(325)144(100-270)259-194(320)139(93-108(19)20)253-197(323)142(96-162(292)293)258-205(331)167(112(24)33-5)264-200(326)145(101-271)260-206(332)168(113(25)34-6)265-201(327)146-58-48-86-269(146)209(335)147-59-49-85-268(147)155(279)99-230-172(298)116(216)60-72-156(280)281)186(312)262-165(110(22)31-3)204(330)246-131(68-77-161(290)291)187(313)263-166(111(23)32-4)203(329)245-130(67-76-160(288)289)184(310)236-119(52-37-42-79-213)175(301)240-125(62-70-150(218)274)180(306)243-128(65-74-158(284)285)183(309)235-121(54-39-44-81-215)177(303)242-127(64-73-157(282)283)182(308)234-120(53-38-43-80-214)176(302)241-126-63-71-154(278)227-82-45-40-55-132(247-171(297)114(26)231-173(299)124(239-181(126)307)61-69-149(217)273)208(334)267(28)148(98-153(221)277)202(328)257-141(95-152(220)276)196(322)255-140(94-151(219)275)195(321)238-123(57-47-84-229-211(225)226)179(305)248-135(89-104(11)12)190(316)251-137(91-106(15)16)192(318)252-138(92-107(17)18)193(319)256-143(97-163(294)295)198(324)266-169(115(27)272)207(333)261-164(170(222)296)109(21)30-2/h102-148,164-169,270-272H,29-101,212-216H2,1-28H3,(H2,217,273)(H2,218,274)(H2,219,275)(H2,220,276)(H2,221,277)(H2,222,296)(H,227,278)(H,230,298)(H,231,299)(H,232,300)(H,233,304)(H,234,308)(H,235,309)(H,236,310)(H,237,314)(H,238,321)(H,239,307)(H,240,301)(H,241,302)(H,242,303)(H,243,306)(H,244,315)(H,245,329)(H,246,330)(H,247,297)(H,248,305)(H,249,311)(H,250,317)(H,251,316)(H,252,318)(H,253,323)(H,254,325)(H,255,322)(H,256,319)(H,257,328)(H,258,331)(H,259,320)(H,260,332)(H,261,333)(H,262,312)(H,263,313)(H,264,326)(H,265,327)(H,266,324)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H4,223,224,228)(H4,225,226,229)/t109-,110-,111-,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,164-,165-,166-,167-,168-,169-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human corticotropin releasing factor receptor 2 beta (CRF2beta) assayed using nonselective [125I]-labeled agonist [Tyr0,Glu...


J Med Chem 45: 4737-47 (2002)


Article DOI: 10.1021/jm0202122
BindingDB Entry DOI: 10.7270/Q2WQ04JR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50026959
PNG
(CHEMBL2370916)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C211H362N58O66/c1-29-35-50-117(232-174(300)118(51-36-41-78-212)233-178(304)122(56-46-83-228-210(223)224)237-188(314)133(87-102(7)8)250-191(317)136(90-105(13)14)249-185(311)129(66-75-159(286)287)244-189(315)134(88-103(9)10)254-199(325)144(100-270)259-194(320)139(93-108(19)20)253-197(323)142(96-162(292)293)258-205(331)167(112(24)33-5)264-200(326)145(101-271)260-206(332)168(113(25)34-6)265-201(327)146-58-48-86-269(146)209(335)147-59-49-85-268(147)155(279)99-230-172(298)116(216)60-72-156(280)281)186(312)262-165(110(22)31-3)204(330)246-131(68-77-161(290)291)187(313)263-166(111(23)32-4)203(329)245-130(67-76-160(288)289)184(310)236-119(52-37-42-79-213)175(301)240-125(62-70-150(218)274)180(306)243-128(65-74-158(284)285)183(309)235-121(54-39-44-81-215)177(303)242-127(64-73-157(282)283)182(308)234-120(53-38-43-80-214)176(302)241-126-63-71-154(278)227-82-45-40-55-132(247-171(297)114(26)231-173(299)124(239-181(126)307)61-69-149(217)273)208(334)267(28)148(98-153(221)277)202(328)257-141(95-152(220)276)196(322)255-140(94-151(219)275)195(321)238-123(57-47-84-229-211(225)226)179(305)248-135(89-104(11)12)190(316)251-137(91-106(15)16)192(318)252-138(92-107(17)18)193(319)256-143(97-163(294)295)198(324)266-169(115(27)272)207(333)261-164(170(222)296)109(21)30-2/h102-148,164-169,270-272H,29-101,212-216H2,1-28H3,(H2,217,273)(H2,218,274)(H2,219,275)(H2,220,276)(H2,221,277)(H2,222,296)(H,227,278)(H,230,298)(H,231,299)(H,232,300)(H,233,304)(H,234,308)(H,235,309)(H,236,310)(H,237,314)(H,238,321)(H,239,307)(H,240,301)(H,241,302)(H,242,303)(H,243,306)(H,244,315)(H,245,329)(H,246,330)(H,247,297)(H,248,305)(H,249,311)(H,250,317)(H,251,316)(H,252,318)(H,253,323)(H,254,325)(H,255,322)(H,256,319)(H,257,328)(H,258,331)(H,259,320)(H,260,332)(H,261,333)(H,262,312)(H,263,313)(H,264,326)(H,265,327)(H,266,324)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H4,223,224,228)(H4,225,226,229)/t109-,110-,111-,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,164-,165-,166-,167-,168-,169-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine


J Med Chem 45: 4737-47 (2002)


Article DOI: 10.1021/jm0202122
BindingDB Entry DOI: 10.7270/Q2WQ04JR
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50172732
PNG
(CHEMBL414287 | KKLSECLKRIGDELDS)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C77H136N22O27S/c1-9-41(8)61(75(124)85-34-56(102)86-51(32-59(107)108)71(120)90-46(21-23-57(103)104)65(114)93-49(30-39(4)5)69(118)95-52(33-60(109)110)72(121)97-54(36-101)76(125)126)99-67(116)45(20-16-28-84-77(82)83)88-63(112)44(19-12-15-27-80)89-68(117)48(29-38(2)3)94-74(123)55(37-127)98-66(115)47(22-24-58(105)106)91-73(122)53(35-100)96-70(119)50(31-40(6)7)92-64(113)43(18-11-14-26-79)87-62(111)42(81)17-10-13-25-78/h38-55,61,100-101,127H,9-37,78-81H2,1-8H3,(H,85,124)(H,86,102)(H,87,111)(H,88,112)(H,89,117)(H,90,120)(H,91,122)(H,92,113)(H,93,114)(H,94,123)(H,95,118)(H,96,119)(H,97,121)(H,98,115)(H,99,116)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,125,126)(H4,82,83,84)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.91E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of BCL2 by fluorescence polarization based competitive binding assay


Bioorg Med Chem Lett 15: 4467-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.031
BindingDB Entry DOI: 10.7270/Q2VD6Z0C
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50172738
PNG
(CHEMBL441321 | GQVGRQLAIIGDDINR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-12-34(8)55(67(117)84-31-51(103)88-44(27-52(104)105)64(114)92-45(28-53(106)107)65(115)96-56(35(9)13-2)68(118)93-43(26-48(76)100)63(113)90-41(70(120)121)18-16-24-82-72(79)80)97-69(119)57(36(10)14-3)95-58(108)37(11)85-62(112)42(25-32(4)5)91-60(110)40(20-22-47(75)99)89-59(109)38(17-15-23-81-71(77)78)87-50(102)30-83-66(116)54(33(6)7)94-61(111)39(19-21-46(74)98)86-49(101)29-73/h32-45,54-57H,12-31,73H2,1-11H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,112)(H,86,101)(H,87,102)(H,88,103)(H,89,109)(H,90,113)(H,91,110)(H,92,114)(H,93,118)(H,94,111)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of BCL2 by fluorescence polarization based competitive binding assay


Bioorg Med Chem Lett 15: 4467-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.031
BindingDB Entry DOI: 10.7270/Q2VD6Z0C
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222360
PNG
(Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,16-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50222360
PNG
(Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,16-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.59E+5n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265719
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C75H129N25O24/c1-10-37(7)59(71(121)87-34-55(106)91-48(30-56(107)108)68(118)97-49(31-57(109)110)69(119)95-46(28-40-17-13-12-14-18-40)66(116)96-47(29-52(79)103)67(117)93-44(73(123)124)20-16-26-85-75(82)83)100-72(122)60(38(8)11-2)99-61(111)39(9)88-65(115)45(27-35(3)4)94-63(113)43(22-24-51(78)102)92-62(112)41(19-15-25-84-74(80)81)90-54(105)33-86-70(120)58(36(5)6)98-64(114)42(21-23-50(77)101)89-53(104)32-76/h35-49,58-60H,10-34,76H2,1-9H3,(H2,77,101)(H2,78,102)(H2,79,103)(H,86,120)(H,87,121)(H,88,115)(H,89,104)(H,90,105)(H,91,106)(H,92,112)(H,93,117)(H,94,113)(H,95,119)(H,96,116)(H,97,118)(H,98,114)(H,99,111)(H,100,122)(H,107,108)(H,109,110)(H,123,124)(H4,80,81,84)(H4,82,83,85)/t37-,38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,58-,59-,60-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 58n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265708
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C71H123N25O24S/c1-11-33(6)54(66(116)83-31-50(102)87-43(27-51(103)104)63(113)91-44(28-52(105)106)64(114)95-55(34(7)12-2)67(117)92-42(26-47(75)99)62(112)90-41(69(119)120)17-15-24-81-71(78)79)96-68(118)56(35(8)13-3)94-57(107)36(9)84-58(108)40(22-25-121-10)89-60(110)39(19-21-46(74)98)88-59(109)37(16-14-23-80-70(76)77)86-49(101)30-82-65(115)53(32(4)5)93-61(111)38(18-20-45(73)97)85-48(100)29-72/h32-44,53-56H,11-31,72H2,1-10H3,(H2,73,97)(H2,74,98)(H2,75,99)(H,82,115)(H,83,116)(H,84,108)(H,85,100)(H,86,101)(H,87,102)(H,88,109)(H,89,110)(H,90,112)(H,91,113)(H,92,117)(H,93,111)(H,94,107)(H,95,114)(H,96,118)(H,103,104)(H,105,106)(H,119,120)(H4,76,77,80)(H4,78,79,81)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-,56-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.43E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265705
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C75H129N25O24/c1-10-36(6)58(70(120)87-34-54(106)91-47(30-55(107)108)67(117)95-48(31-56(109)110)68(118)99-59(37(7)11-2)71(121)96-46(29-51(79)103)66(116)93-44(73(123)124)21-17-27-85-75(82)83)100-72(122)60(38(8)12-3)98-61(111)39(9)88-65(115)45(28-40-18-14-13-15-19-40)94-63(113)43(23-25-50(78)102)92-62(112)41(20-16-26-84-74(80)81)90-53(105)33-86-69(119)57(35(4)5)97-64(114)42(22-24-49(77)101)89-52(104)32-76/h35-48,57-60H,10-34,76H2,1-9H3,(H2,77,101)(H2,78,102)(H2,79,103)(H,86,119)(H,87,120)(H,88,115)(H,89,104)(H,90,105)(H,91,106)(H,92,112)(H,93,116)(H,94,113)(H,95,117)(H,96,121)(H,97,114)(H,98,111)(H,99,118)(H,100,122)(H,107,108)(H,109,110)(H,123,124)(H4,80,81,84)(H4,82,83,85)/t36-,37-,38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,57-,58-,59-,60-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 219n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265704
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C69H119N25O24/c1-11-32(7)53(65(115)81-29-49(100)86-42(25-50(101)102)63(113)91-43(26-51(103)104)61(111)82-34(9)55(105)89-41(24-46(73)97)62(112)88-39(67(117)118)16-14-22-79-69(76)77)94-66(116)54(33(8)12-2)93-56(106)35(10)83-60(110)40(23-30(3)4)90-58(108)38(18-20-45(72)96)87-57(107)36(15-13-21-78-68(74)75)85-48(99)28-80-64(114)52(31(5)6)92-59(109)37(17-19-44(71)95)84-47(98)27-70/h30-43,52-54H,11-29,70H2,1-10H3,(H2,71,95)(H2,72,96)(H2,73,97)(H,80,114)(H,81,115)(H,82,111)(H,83,110)(H,84,98)(H,85,99)(H,86,100)(H,87,107)(H,88,112)(H,89,105)(H,90,108)(H,91,113)(H,92,109)(H,93,106)(H,94,116)(H,101,102)(H,103,104)(H,117,118)(H4,74,75,78)(H4,76,77,79)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,52-,53-,54-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.30E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265701
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-11-14-17-39(60(110)93-44(27-49(76)100)64(114)91-42(70(120)121)19-16-25-82-72(79)80)89-66(116)46(29-54(106)107)94-65(115)45(28-53(104)105)88-52(103)32-84-68(118)56(35(8)12-2)97-69(119)57(36(9)13-3)96-58(108)37(10)85-63(113)43(26-33(4)5)92-61(111)41(21-23-48(75)99)90-59(109)38(18-15-24-81-71(77)78)87-51(102)31-83-67(117)55(34(6)7)95-62(112)40(20-22-47(74)98)86-50(101)30-73/h33-46,55-57H,11-32,73H2,1-10H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,117)(H,84,118)(H,85,113)(H,86,101)(H,87,102)(H,88,103)(H,89,116)(H,90,109)(H,91,114)(H,92,111)(H,93,110)(H,94,115)(H,95,112)(H,96,108)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 118n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265700
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C69H119N25O24/c1-11-32(7)53(65(115)83-34(9)55(105)80-28-49(100)86-42(25-50(101)102)62(112)90-43(26-51(103)104)63(113)94-54(33(8)12-2)66(116)91-41(24-46(73)97)61(111)88-39(67(117)118)16-14-22-79-69(76)77)93-56(106)35(10)82-60(110)40(23-30(3)4)89-58(108)38(18-20-45(72)96)87-57(107)36(15-13-21-78-68(74)75)85-48(99)29-81-64(114)52(31(5)6)92-59(109)37(17-19-44(71)95)84-47(98)27-70/h30-43,52-54H,11-29,70H2,1-10H3,(H2,71,95)(H2,72,96)(H2,73,97)(H,80,105)(H,81,114)(H,82,110)(H,83,115)(H,84,98)(H,85,99)(H,86,100)(H,87,107)(H,88,111)(H,89,108)(H,90,112)(H,91,116)(H,92,109)(H,93,106)(H,94,113)(H,101,102)(H,103,104)(H,117,118)(H4,74,75,78)(H4,76,77,79)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,52-,53-,54-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265697
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-11-14-17-38(59(109)83-31-52(103)88-45(28-53(104)105)65(115)93-46(29-54(106)107)66(116)97-57(36(9)13-3)69(119)94-44(27-49(76)100)64(114)91-42(70(120)121)19-16-25-82-72(79)80)90-68(118)56(35(8)12-2)96-58(108)37(10)85-63(113)43(26-33(4)5)92-61(111)41(21-23-48(75)99)89-60(110)39(18-15-24-81-71(77)78)87-51(102)32-84-67(117)55(34(6)7)95-62(112)40(20-22-47(74)98)86-50(101)30-73/h33-46,55-57H,11-32,73H2,1-10H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,109)(H,84,117)(H,85,113)(H,86,101)(H,87,102)(H,88,103)(H,89,110)(H,90,118)(H,91,114)(H,92,111)(H,93,115)(H,94,119)(H,95,112)(H,96,108)(H,97,116)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 655n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265696
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C69H119N25O24/c1-11-31(6)52(64(114)81-29-48(100)86-41(25-49(101)102)61(111)89-42(26-50(103)104)62(112)93-53(32(7)12-2)65(115)90-40(24-45(73)97)60(110)88-39(67(117)118)17-15-23-79-69(76)77)94-66(116)54(33(8)13-3)92-56(106)35(10)82-55(105)34(9)83-57(107)38(19-21-44(72)96)87-58(108)36(16-14-22-78-68(74)75)85-47(99)28-80-63(113)51(30(4)5)91-59(109)37(18-20-43(71)95)84-46(98)27-70/h30-42,51-54H,11-29,70H2,1-10H3,(H2,71,95)(H2,72,96)(H2,73,97)(H,80,113)(H,81,114)(H,82,105)(H,83,107)(H,84,98)(H,85,99)(H,86,100)(H,87,108)(H,88,110)(H,89,111)(H,90,115)(H,91,109)(H,92,106)(H,93,112)(H,94,116)(H,101,102)(H,103,104)(H,117,118)(H4,74,75,78)(H4,76,77,79)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,51-,52-,53-,54-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70E+5n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265693
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-11-15-18-39(89-61(111)41(22-24-47(75)99)90-60(110)38(19-16-25-81-71(77)78)87-50(102)31-83-66(116)54(33(5)6)94-62(112)40(21-23-46(74)98)86-49(101)30-73)59(109)85-37(10)58(108)95-57(36(9)14-4)69(119)97-55(34(7)12-2)67(117)84-32-51(103)88-44(28-52(104)105)64(114)92-45(29-53(106)107)65(115)96-56(35(8)13-3)68(118)93-43(27-48(76)100)63(113)91-42(70(120)121)20-17-26-82-72(79)80/h33-45,54-57H,11-32,73H2,1-10H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,109)(H,86,101)(H,87,102)(H,88,103)(H,89,111)(H,90,110)(H,91,113)(H,92,114)(H,93,118)(H,94,112)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 318n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265692
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C70H121N25O24/c1-11-32(6)53(65(115)82-30-50(101)87-43(26-51(102)103)63(113)91-44(27-52(104)105)64(114)94-54(33(7)12-2)66(116)92-42(25-47(74)98)62(112)89-40(68(118)119)17-15-23-80-70(77)78)95-67(117)55(34(8)13-3)93-57(107)36(10)84-61(111)41(24-31(4)5)90-60(110)39(19-21-46(73)97)88-59(109)37(16-14-22-79-69(75)76)86-49(100)29-81-56(106)35(9)83-58(108)38(18-20-45(72)96)85-48(99)28-71/h31-44,53-55H,11-30,71H2,1-10H3,(H2,72,96)(H2,73,97)(H2,74,98)(H,81,106)(H,82,115)(H,83,108)(H,84,111)(H,85,99)(H,86,100)(H,87,101)(H,88,109)(H,89,112)(H,90,110)(H,91,113)(H,92,116)(H,93,107)(H,94,114)(H,95,117)(H,102,103)(H,104,105)(H,118,119)(H4,75,76,79)(H4,77,78,80)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50265708
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C71H123N25O24S/c1-11-33(6)54(66(116)83-31-50(102)87-43(27-51(103)104)63(113)91-44(28-52(105)106)64(114)95-55(34(7)12-2)67(117)92-42(26-47(75)99)62(112)90-41(69(119)120)17-15-24-81-71(78)79)96-68(118)56(35(8)13-3)94-57(107)36(9)84-58(108)40(22-25-121-10)89-60(110)39(19-21-46(74)98)88-59(109)37(16-14-23-80-70(76)77)86-49(101)30-82-65(115)53(32(4)5)93-61(111)38(18-20-45(73)97)85-48(100)29-72/h32-44,53-56H,11-31,72H2,1-10H3,(H2,73,97)(H2,74,98)(H2,75,99)(H,82,115)(H,83,116)(H,84,108)(H,85,100)(H,86,101)(H,87,102)(H,88,109)(H,89,110)(H,90,112)(H,91,113)(H,92,117)(H,93,111)(H,94,107)(H,95,114)(H,96,118)(H,103,104)(H,105,106)(H,119,120)(H4,76,77,80)(H4,78,79,81)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-,56-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.99E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50172738
PNG
(CHEMBL441321 | GQVGRQLAIIGDDINR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-12-34(8)55(67(117)84-31-51(103)88-44(27-52(104)105)64(114)92-45(28-53(106)107)65(115)96-56(35(9)13-2)68(118)93-43(26-48(76)100)63(113)90-41(70(120)121)18-16-24-82-72(79)80)97-69(119)57(36(10)14-3)95-58(108)37(11)85-62(112)42(25-32(4)5)91-60(110)40(20-22-47(75)99)89-59(109)38(17-15-23-81-71(77)78)87-50(102)30-83-66(116)54(33(6)7)94-61(111)39(19-21-46(74)98)86-49(101)29-73/h32-45,54-57H,12-31,73H2,1-11H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,112)(H,86,101)(H,87,102)(H,88,103)(H,89,109)(H,90,113)(H,91,110)(H,92,114)(H,93,118)(H,94,111)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.5n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged human wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 35 nM Bodipy-labelled compound after...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50241181
PNG
((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N7O7/c1-8(2)13(16(30)31)24-15(29)10(6-12(26)27)23-11(25)7-22-14(28)9(18)4-3-5-21-17(19)20/h8-10,13H,3-7,18H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)(H,26,27)(H,30,31)(H4,19,20,21)/t9-,10-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fibrinogen binding to activated human platelets


Citation and Details

Article DOI: 10.1016/S0960-894X(97)00311-9
BindingDB Entry DOI: 10.7270/Q2J104GV
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50241181
PNG
((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N7O7/c1-8(2)13(16(30)31)24-15(29)10(6-12(26)27)23-11(25)7-22-14(28)9(18)4-3-5-21-17(19)20/h8-10,13H,3-7,18H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)(H,26,27)(H,30,31)(H4,19,20,21)/t9-,10-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair