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Compile Data Set for Download or QSAR

Found 5934 hits with Last Name = 'xu' and Initial = 'w'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50112518
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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0.0280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112502
PNG
(CHEMBL26299 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)
Show SMILES CCOC(=O)CCC(=O)N(CC=Cc1cc(ccc1O)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H36F3N5O5/c1-3-42-28(41)11-10-27(40)38(14-4-5-20-17-21(29(35)36)6-8-25(20)39)22-7-9-26(24(18-22)30(31,32)33)43-23-12-15-37(16-13-23)19(2)34/h4-9,17-18,23,34,39H,3,10-16H2,1-2H3,(H3,35,36)
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0.0700n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112506
PNG
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)
Show SMILES C\C(CNc1ccc(OC2CC[N+](CC2)=C(C)[NH-])c(c1)[N+]([O-])=O)=C/c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H30N6O3/c1-16(12-18-4-3-5-19(13-18)24(26)27)15-28-20-6-7-23(22(14-20)30(31)32)33-21-8-10-29(11-9-21)17(2)25/h3-7,12-14,21,25,28H,8-11,15H2,1-2H3,(H3,26,27)/b16-12+
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0.0700n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112503
PNG
(7-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nitr...)
Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2ccc3ccc(cc3c2)C(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H28N6O3/c1-16(26)30-10-8-22(9-11-30)34-24-7-6-21(14-23(24)31(32)33)29-15-17-2-3-18-4-5-19(25(27)28)13-20(18)12-17/h2-7,12-14,22,26,29H,8-11,15H2,1H3,(H3,27,28)
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0.0800n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112491
PNG
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112497
PNG
(CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40)
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112521
PNG
(4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O
Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112524
PNG
(7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112513
PNG
(4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O
Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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0.110n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231952
PNG
(CHEMBL4081554)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CS)C(N)=O
Show InChI InChI=1S/C184H281N49O59S2/c1-16-94(10)147(178(287)213-115(52-58-144(255)256)164(273)218-122(73-101-77-195-106-39-24-23-38-103(101)106)169(278)215-117(68-90(2)3)166(275)205-108(41-26-28-61-186)159(268)219-123(75-134(189)241)155(264)198-79-135(242)196-83-139(246)230-63-31-44-130(230)176(285)224-127(86-236)175(284)222-125(84-234)156(265)200-80-136(243)202-96(12)181(290)232-65-32-45-131(232)183(292)233-66-33-46-132(233)182(291)231-64-30-43-129(231)150(259)104(88-293)151(190)260)228-171(280)120(71-99-34-19-17-20-35-99)217-167(276)118(69-91(4)5)214-160(269)109(42-29-62-194-184(191)192)212-177(286)146(93(8)9)227-152(261)95(11)203-157(266)112(49-55-141(249)250)208-162(271)113(50-56-142(251)252)209-163(272)114(51-57-143(253)254)210-165(274)116(59-67-294-15)211-161(270)111(47-53-133(188)240)207-158(267)107(40-25-27-60-185)206-173(282)126(85-235)223-168(277)119(70-92(6)7)216-170(279)124(76-145(257)258)220-174(283)128(87-237)225-180(289)149(98(14)239)229-172(281)121(72-100-36-21-18-22-37-100)221-179(288)148(97(13)238)226-138(245)82-199-154(263)110(48-54-140(247)248)204-137(244)81-197-153(262)105(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104-105,107-132,146-149,195,234-239,293H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,240)(H2,189,241)(H2,190,260)(H,193,201)(H,196,242)(H,197,262)(H,198,264)(H,199,263)(H,200,265)(H,202,243)(H,203,266)(H,204,244)(H,205,275)(H,206,282)(H,207,267)(H,208,271)(H,209,272)(H,210,274)(H,211,270)(H,212,286)(H,213,287)(H,214,269)(H,215,278)(H,216,279)(H,217,276)(H,218,273)(H,219,268)(H,220,283)(H,221,288)(H,222,284)(H,223,277)(H,224,285)(H,225,289)(H,226,245)(H,227,261)(H,228,280)(H,229,281)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
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0.110 -56.3n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411339
PNG
(CHEMBL227276)
Show SMILES O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C31H34N6O5/c38-26(20-9-4-5-10-20)18-36-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)34-37(31(36)41)19-27(39)32-23-14-8-13-22(17-23)29-33-30(40)42-35-29/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,32,39)(H,33,35,40)
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0.110n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
BindingDB Entry DOI: 10.7270/Q2MP546B
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50123599
PNG
(ETORPHINE)
Show SMILES CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.092
BindingDB Entry DOI: 10.7270/Q2NV9M2W
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50056102
PNG
((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112500
PNG
(3'-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nit...)
Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2cccc(c2)-c2cccc(c2)C(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30)
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0.170n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411341
PNG
(CHEMBL226583)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H34N6O5/c1-30(2,3)24(37)17-35-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-36(29(35)40)18-25(38)31-21-13-9-12-20(16-21)27-32-28(39)41-34-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,31,38)(H,32,34,39)
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0.200n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112516
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...)
Show SMILES CC(C)c1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C29H33N7O3/c1-17(2)29-33-26-24(35(29)16-19-4-5-20-6-7-21(28(31)32)15-22(20)14-19)8-9-25(27(26)36(37)38)39-23-10-12-34(13-11-23)18(3)30/h4-9,14-15,17,23,30H,10-13,16H2,1-3H3,(H3,31,32)
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0.200n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand


J Med Chem 46: 3221-9 (2003)


Article DOI: 10.1021/jm020558c
BindingDB Entry DOI: 10.7270/Q24M93XT
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231900
PNG
(CHEMBL4060480)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C155H229N41O47/c1-15-79(8)125(152(241)174-83(12)131(220)182-110(63-90-66-165-96-34-23-22-33-94(90)96)143(232)184-105(58-77(4)5)145(234)194-124(78(6)7)151(240)181-98(35-24-26-54-156)134(223)167-69-117(206)175-97(37-28-56-164-155(161)162)133(222)166-68-116(160)205)195-146(235)108(59-86-29-18-16-19-30-86)185-139(228)103(49-53-122(213)214)180-138(227)99(36-25-27-55-157)177-129(218)81(10)171-128(217)80(9)173-137(226)102(46-50-115(159)204)176-118(207)70-168-136(225)101(48-52-121(211)212)179-140(229)104(57-76(2)3)183-141(230)106(61-88-38-42-92(202)43-39-88)187-148(237)112(72-197)191-150(239)113(73-198)190-142(231)107(62-89-40-44-93(203)45-41-89)186-144(233)111(65-123(215)216)188-149(238)114(74-199)192-154(243)127(85(14)201)196-147(236)109(60-87-31-20-17-21-32-87)189-153(242)126(84(13)200)193-119(208)71-169-135(224)100(47-51-120(209)210)178-130(219)82(11)172-132(221)95(158)64-91-67-163-75-170-91/h16-23,29-34,38-45,66-67,75-85,95,97-114,124-127,165,197-203H,15,24-28,35-37,46-65,68-74,156-158H2,1-14H3,(H2,159,204)(H2,160,205)(H,163,170)(H,166,222)(H,167,223)(H,168,225)(H,169,224)(H,171,217)(H,172,221)(H,173,226)(H,174,241)(H,175,206)(H,176,207)(H,177,218)(H,178,219)(H,179,229)(H,180,227)(H,181,240)(H,182,220)(H,183,230)(H,184,232)(H,185,228)(H,186,233)(H,187,237)(H,188,238)(H,189,242)(H,190,231)(H,191,239)(H,192,243)(H,193,208)(H,194,234)(H,195,235)(H,196,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,164)/t79-,80-,81-,82-,83-,84+,85+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066635
PNG
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1
Show InChI InChI=1S/C29H30F2N6O6/c1-36-12-9-34-27(36)17-3-2-4-19(13-17)42-28-23(30)25(41-18-7-10-37(11-8-18)15-22(39)40)24(31)29(35-28)43-21-14-16(26(32)33)5-6-20(21)38/h2-6,13-14,18,38H,7-12,15H2,1H3,(H3,32,33)(H,39,40)
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0.240n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002875
PNG
(CHEMBL388144)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2ccc(o2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C33H36N4O6/c1-33(2,3)28(38)19-36-25-15-8-7-14-24(25)30(21-10-5-4-6-11-21)35-37(32(36)42)20-29(39)34-23-13-9-12-22(18-23)26-16-17-27(43-26)31(40)41/h7-9,12-18,21H,4-6,10-11,19-20H2,1-3H3,(H,34,39)(H,40,41)
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0.25n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066619
PNG
(({2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluo...)
Show SMILES CCOC(=O)CN(C)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C27H28F2N6O5/c1-4-38-20(37)14-35(3)23-21(28)26(39-17-7-5-6-16(12-17)25-32-10-11-34(25)2)33-27(22(23)29)40-19-13-15(24(30)31)8-9-18(19)36/h5-9,12-13,36H,4,10-11,14H2,1-3H3,(H3,30,31)
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0.260n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112488
PNG
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)
Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+
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0.270n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17282
PNG
(7-({6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)
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0.270 -54.1n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411340
PNG
(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
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0.280n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112489
PNG
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+
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0.280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112490
PNG
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18?
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0.280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112494
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)
Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O
Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30)
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0.300n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112494
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)
Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O
Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30)
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0.300n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411344
PNG
(CHEMBL389711)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ccn(CC(O)=O)c3c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)27(38)18-36-25-12-8-7-11-24(25)30(22-9-5-4-6-10-22)34-37(31(36)42)19-28(39)33-23-14-13-21-15-16-35(20-29(40)41)26(21)17-23/h7-8,11-17,22H,4-6,9-10,18-20H2,1-3H3,(H,33,39)(H,40,41)
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0.300n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066634
PNG
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)
Show SMILES CCOC(=O)CN1CCC(CC1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C31H34F2N6O6/c1-3-42-24(41)17-39-12-9-20(10-13-39)43-27-25(32)30(44-21-6-4-5-19(15-21)29-36-11-14-38(29)2)37-31(26(27)33)45-23-16-18(28(34)35)7-8-22(23)40/h4-8,15-16,20,40H,3,9-14,17H2,1-2H3,(H3,34,35)
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0.310n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112514
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50063885
PNG
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940


J Med Chem 46: 3221-9 (2003)


Article DOI: 10.1021/jm020558c
BindingDB Entry DOI: 10.7270/Q24M93XT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374645
PNG
(CHEMBL272939)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
BindingDB Entry DOI: 10.7270/Q2ZK5HJF
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50261506
PNG
(CHEMBL499930 | HAEGTFTSDVSSYLEGQAAKEFIAWLVKGRG-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C151H229N41O46/c1-17-77(10)121(148(236)170-81(14)127(215)178-105(60-87-63-161-92-36-25-24-35-90(87)92)138(226)180-101(56-74(4)5)139(227)189-119(75(6)7)146(234)177-94(37-26-28-52-152)130(218)163-66-112(201)171-93(39-30-54-160-151(157)158)129(217)162-65-111(156)200)191-140(228)103(57-84-31-20-18-21-32-84)181-135(223)99(47-51-117(208)209)176-134(222)95(38-27-29-53-153)173-125(213)79(12)167-124(212)78(11)169-133(221)98(44-48-110(155)199)172-113(202)67-164-132(220)97(46-50-116(206)207)175-136(224)100(55-73(2)3)179-137(225)102(59-86-40-42-89(198)43-41-86)182-143(231)107(69-193)185-145(233)109(71-195)186-147(235)120(76(8)9)190-142(230)106(62-118(210)211)183-144(232)108(70-194)187-150(238)123(83(16)197)192-141(229)104(58-85-33-22-19-23-34-85)184-149(237)122(82(15)196)188-114(203)68-165-131(219)96(45-49-115(204)205)174-126(214)80(13)168-128(216)91(154)61-88-64-159-72-166-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,161,193-198H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,199)(H2,156,200)(H,159,166)(H,162,217)(H,163,218)(H,164,220)(H,165,219)(H,167,212)(H,168,216)(H,169,221)(H,170,236)(H,171,201)(H,172,202)(H,173,213)(H,174,214)(H,175,224)(H,176,222)(H,177,234)(H,178,215)(H,179,225)(H,180,226)(H,181,223)(H,182,231)(H,183,232)(H,184,237)(H,185,233)(H,186,235)(H,187,238)(H,188,203)(H,189,227)(H,190,230)(H,191,228)(H,192,229)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,160)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411342
PNG
(CHEMBL227333)
Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
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0.330n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066641
PNG
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C27H26F2N6O6/c1-35-8-7-32-24(35)14-3-2-4-15(9-14)40-25-20(28)22(39-16-11-17(27(37)38)33-12-16)21(29)26(34-25)41-19-10-13(23(30)31)5-6-18(19)36/h2-6,9-10,16-17,33,36H,7-8,11-12H2,1H3,(H3,30,31)(H,37,38)/t16-,17+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50411336
PNG
(CHEMBL227330)
Show SMILES OC(=O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C32H38N4O5/c37-28(23-10-4-5-11-23)20-35-27-16-7-6-15-26(27)31(24-12-2-1-3-13-24)34-36(32(35)41)21-29(38)33-25-14-8-9-22(19-25)17-18-30(39)40/h6-9,14-16,19,23-24H,1-5,10-13,17-18,20-21H2,(H,33,38)(H,39,40)
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0.340n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112496
PNG
(CHEMBL26709 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CN(C(=O)CCC(O)=O)c2ccc(OC3CCN(CC(O)=O)CC3)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C28H31F3N4O7/c29-28(30,31)21-15-19(4-6-23(21)42-20-9-12-34(13-10-20)16-26(40)41)35(24(37)7-8-25(38)39)11-1-2-17-14-18(27(32)33)3-5-22(17)36/h1-6,14-15,20,36H,7-13,16H2,(H3,32,33)(H,38,39)(H,40,41)/b2-1+
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0.340n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231888
PNG
(CHEMBL4081357)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C156H236N42O46/c1-17-80(10)125(153(242)175-84(14)131(220)184-109(64-90-68-167-95-38-25-24-37-93(90)95)143(232)186-105(60-77(4)5)145(234)195-123(78(6)7)151(240)183-97(39-26-29-55-157)134(223)169-71-117(207)176-96(42-32-58-166-156(162)163)133(222)168-70-115(161)205)197-146(235)107(61-87-33-20-18-21-34-87)188-139(228)102(49-53-120(211)212)180-137(226)98(40-27-30-56-158)177-129(218)82(12)172-128(217)81(11)174-136(225)101(47-51-114(160)204)181-144(233)110-66-116(206)165-57-31-28-41-99(138(227)187-106(63-89-43-45-92(203)46-44-89)142(231)185-104(59-76(2)3)141(230)182-103(140(229)189-110)50-54-121(213)214)179-149(238)112(73-199)192-152(241)124(79(8)9)196-148(237)111(67-122(215)216)190-150(239)113(74-200)193-155(244)127(86(16)202)198-147(236)108(62-88-35-22-19-23-36-88)191-154(243)126(85(15)201)194-118(208)72-170-135(224)100(48-52-119(209)210)178-130(219)83(13)173-132(221)94(159)65-91-69-164-75-171-91/h18-25,33-38,43-46,68-69,75-86,94,96-113,123-127,167,199-203H,17,26-32,39-42,47-67,70-74,157-159H2,1-16H3,(H2,160,204)(H2,161,205)(H,164,171)(H,165,206)(H,168,222)(H,169,223)(H,170,224)(H,172,217)(H,173,221)(H,174,225)(H,175,242)(H,176,207)(H,177,218)(H,178,219)(H,179,238)(H,180,226)(H,181,233)(H,182,230)(H,183,240)(H,184,220)(H,185,231)(H,186,232)(H,187,227)(H,188,228)(H,189,229)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,208)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,162,163,166)/t80-,81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002880
PNG
(CHEMBL437736)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(co2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C32H35N5O6/c1-32(2,3)26(38)17-36-25-15-8-7-14-23(25)28(20-10-5-4-6-11-20)35-37(31(36)42)18-27(39)33-22-13-9-12-21(16-22)29-34-24(19-43-29)30(40)41/h7-9,12-16,19-20H,4-6,10-11,17-18H2,1-3H3,(H,33,39)(H,40,41)
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0.360n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112528
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066623
PNG
(CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1
Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34)
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0.410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066639
PNG
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)
Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C29H30F2N6O6/c1-3-40-29(39)19-13-18(14-35-19)41-24-22(30)27(42-17-6-4-5-16(11-17)26-34-9-10-37(26)2)36-28(23(24)31)43-21-12-15(25(32)33)7-8-20(21)38/h4-8,11-12,18-19,35,38H,3,9-10,13-14H2,1-2H3,(H3,32,33)/t18-,19+/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50130623
PNG
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940


J Med Chem 46: 3221-9 (2003)


Article DOI: 10.1021/jm020558c
BindingDB Entry DOI: 10.7270/Q24M93XT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112526
PNG
(3'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-12-14-35(15-13-25)20(2)31)10-11-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)
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0.460n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231942
PNG
(CHEMBL4065403)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C157H229N41O48/c1-15-79(8)126(154(244)182-99-36-25-27-55-165-118(208)65-111(136(226)170-70-119(209)176-97(37-28-56-166-157(162)163)134(224)168-69-117(161)207)191-153(243)125(78(6)7)196-147(237)105(58-77(4)5)184-145(235)110(188-140(99)230)63-90-67-167-96-34-23-22-33-94(90)96)197-148(238)108(59-86-29-18-16-19-30-86)185-141(231)103(49-53-123(215)216)180-139(229)98(35-24-26-54-158)177-130(220)81(10)172-129(219)80(9)174-137(227)101(46-50-116(160)206)179-132(222)83(12)175-138(228)102(48-52-122(213)214)181-142(232)104(57-76(2)3)183-143(233)106(61-88-38-42-92(204)43-39-88)187-150(240)113(72-199)193-152(242)114(73-200)192-144(234)107(62-89-40-44-93(205)45-41-89)186-146(236)112(66-124(217)218)189-151(241)115(74-201)194-156(246)128(85(14)203)198-149(239)109(60-87-31-20-17-21-32-87)190-155(245)127(84(13)202)195-120(210)71-169-135(225)100(47-51-121(211)212)178-131(221)82(11)173-133(223)95(159)64-91-68-164-75-171-91/h16-23,29-34,38-45,67-68,75-85,95,97-115,125-128,167,199-205H,15,24-28,35-37,46-66,69-74,158-159H2,1-14H3,(H2,160,206)(H2,161,207)(H,164,171)(H,165,208)(H,168,224)(H,169,225)(H,170,226)(H,172,219)(H,173,223)(H,174,227)(H,175,228)(H,176,209)(H,177,220)(H,178,221)(H,179,222)(H,180,229)(H,181,232)(H,182,244)(H,183,233)(H,184,235)(H,185,231)(H,186,236)(H,187,240)(H,188,230)(H,189,241)(H,190,245)(H,191,243)(H,192,234)(H,193,242)(H,194,246)(H,195,210)(H,196,237)(H,197,238)(H,198,239)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,162,163,166)/t79-,80-,81-,82-,83-,84+,85+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231949
PNG
(CHEMBL4069162)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C156H227N41O48/c1-14-79(8)126(153(243)181-98-35-24-26-54-164-117(207)64-110(136(226)170-70-118(208)175-96(36-27-55-165-156(161)162)133(223)167-68-116(160)206)190-152(242)125(78(6)7)195-146(236)104(57-77(4)5)183-144(234)109(187-139(98)229)62-89-66-166-95-33-22-21-32-93(89)95)196-147(237)107(58-85-28-17-15-18-29-85)184-140(230)102(48-52-123(215)216)180-138(228)97(34-23-25-53-157)177-130(220)81(10)172-129(219)80(9)174-137(227)101(45-49-115(159)205)176-119(209)69-168-135(225)100(47-51-122(213)214)179-141(231)103(56-76(2)3)182-142(232)105(60-87-37-41-91(203)42-38-87)186-149(239)112(72-198)192-151(241)113(73-199)191-143(233)106(61-88-39-43-92(204)44-40-88)185-145(235)111(65-124(217)218)188-150(240)114(74-200)193-155(245)128(84(13)202)197-148(238)108(59-86-30-19-16-20-31-86)189-154(244)127(83(12)201)194-120(210)71-169-134(224)99(46-50-121(211)212)178-131(221)82(11)173-132(222)94(158)63-90-67-163-75-171-90/h15-22,28-33,37-44,66-67,75-84,94,96-114,125-128,166,198-204H,14,23-27,34-36,45-65,68-74,157-158H2,1-13H3,(H2,159,205)(H2,160,206)(H,163,171)(H,164,207)(H,167,223)(H,168,225)(H,169,224)(H,170,226)(H,172,219)(H,173,222)(H,174,227)(H,175,208)(H,176,209)(H,177,220)(H,178,221)(H,179,231)(H,180,228)(H,181,243)(H,182,232)(H,183,234)(H,184,230)(H,185,235)(H,186,239)(H,187,229)(H,188,240)(H,189,244)(H,190,242)(H,191,233)(H,192,241)(H,193,245)(H,194,210)(H,195,236)(H,196,237)(H,197,238)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,161,162,165)/t79-,80-,81-,82-,83+,84+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...


Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
More data for this
Ligand-Target Pair
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