Found 403 hits with Last Name = 'tess' and Initial = 'da' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50241203
(CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...)Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)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@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50241203
(CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...)Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)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@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120502
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5| Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120504
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25| Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50240819
(CHEMBL4084119)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120505
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25| Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50240819
(CHEMBL4084119)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50083974
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218165
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218166
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120503
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218173
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218170
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218168
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1 | PDB
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PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218180
((R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamin...)Show SMILES CCc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O2S/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218167
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1 | PDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218177
((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1 Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349762
(2-[(4-{6-[(2,4-difluorobenzyl)oxy]pyridin-2-yl}pip...)Show SMILES CCn1cncc1Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(F)cc3F)n2)nc2ccc(cc12)C(O)=O Show InChI InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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| PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218176
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thia...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccncc1)c1cccnc1 Show InChI InChI=1S/C23H22N4O2S/c28-22(19-2-1-9-25-14-19)15-26-12-13-29-20-5-3-17(4-6-20)21-16-30-23(27-21)18-7-10-24-11-8-18/h1-11,14,16,22,26,28H,12-13,15H2/t22-/m0/s1 | PDB
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| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218164
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218182
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)t...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1 | PDB
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218164
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218185
((1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thi...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1 Show InChI InChI=1S/C23H22N4O2S/c28-22(18-3-1-9-24-13-18)15-26-11-12-29-20-7-5-17(6-8-20)21-16-30-23(27-21)19-4-2-10-25-14-19/h1-10,13-14,16,22,26,28H,11-12,15H2/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218172
((R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)eth...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1 Show InChI InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218165
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218174
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218181
((R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamin...)Show InChI InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218166
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218171
((R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)...)Show SMILES COCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218170
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218167
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218173
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218168
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218174
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50218179
((R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethyl...)Show SMILES Cc1nc(c(C)o1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-14-20(23-15(2)26-14)16-5-7-18(8-6-16)25-11-10-22-13-19(24)17-4-3-9-21-12-17/h3-9,12,19,22,24H,10-11,13H2,1-2H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5245-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391864
(CHEMBL2147287)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C43H39FN4O3/c1-43(2,3)33-20-16-29(17-21-33)35-12-8-9-13-36(35)41(50)46-38-25-19-31-26-32(18-24-37(31)45-38)40(49)47-39(30-10-6-5-7-11-30)42(51)48(4)27-28-14-22-34(44)23-15-28/h5-26,39H,27H2,1-4H3,(H,47,49)(H,45,46,50)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391858
(CHEMBL2147281)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C40H30F4N4O3/c1-48(24-25-11-19-31(41)20-12-25)39(51)36(27-7-3-2-4-8-27)47-37(49)29-15-21-34-28(23-29)16-22-35(45-34)46-38(50)33-10-6-5-9-32(33)26-13-17-30(18-14-26)40(42,43)44/h2-23,36H,24H2,1H3,(H,47,49)(H,45,46,50)/t36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391863
(CHEMBL2147286)Show SMILES CC(C)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C42H37FN4O3/c1-27(2)29-15-17-30(18-16-29)35-11-7-8-12-36(35)41(49)45-38-24-20-32-25-33(19-23-37(32)44-38)40(48)46-39(31-9-5-4-6-10-31)42(50)47(3)26-28-13-21-34(43)22-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391867
(CHEMBL2147290)Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C42H37FN4O4/c1-27(2)51-34-21-15-29(16-22-34)35-11-7-8-12-36(35)41(49)45-38-24-18-31-25-32(17-23-37(31)44-38)40(48)46-39(30-9-5-4-6-10-30)42(50)47(3)26-28-13-19-33(43)20-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391860
(CHEMBL2147283)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(C)cc3)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C40H33FN4O3/c1-26-12-16-28(17-13-26)33-10-6-7-11-34(33)39(47)43-36-23-19-30-24-31(18-22-35(30)42-36)38(46)44-37(29-8-4-3-5-9-29)40(48)45(2)25-27-14-20-32(41)21-15-27/h3-24,37H,25H2,1-2H3,(H,44,46)(H,42,43,47)/t37-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50204367
(CHEMBL410414 | dirlotapide)Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1 |r| Show InChI InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28-13-7-4-8-14-28)45-38(49)35-24-29-23-31(21-22-34(29)47(35)2)44-37(48)33-16-10-9-15-32(33)27-17-19-30(20-18-27)40(41,42)43/h3-24,36H,25H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391875
(CHEMBL2147296)Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C36H34N4O3/c1-36(2,3)27-18-14-23(15-19-27)28-12-8-9-13-29(28)34(42)39-31-21-17-25-22-26(16-20-30(25)38-31)33(41)40-32(35(43)37-4)24-10-6-5-7-11-24/h5-22,32H,1-4H3,(H,37,43)(H,40,41)(H,38,39,42)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391876
(CHEMBL2147292)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)CO)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C43H39FN4O4/c1-43(2,27-49)33-19-15-29(16-20-33)35-11-7-8-12-36(35)41(51)46-38-24-18-31-25-32(17-23-37(31)45-38)40(50)47-39(30-9-5-4-6-10-30)42(52)48(3)26-28-13-21-34(44)22-14-28/h4-25,39,49H,26-27H2,1-3H3,(H,47,50)(H,45,46,51)/t39-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391866
(CHEMBL2147294)Show SMILES CC(C)(CO)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C42H37FN4O4/c1-42(2,26-48)32-18-14-28(15-19-32)34-10-6-7-11-35(34)40(50)46-37-23-17-30-24-31(16-22-36(30)45-37)39(49)47-38(29-8-4-3-5-9-29)41(51)44-25-27-12-20-33(43)21-13-27/h3-24,38,48H,25-26H2,1-2H3,(H,44,51)(H,47,49)(H,45,46,50)/t38-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391877
(CHEMBL2147293)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C(O)=O)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C43H37FN4O5/c1-43(2,42(52)53)32-19-15-28(16-20-32)34-11-7-8-12-35(34)40(50)46-37-24-18-30-25-31(17-23-36(30)45-37)39(49)47-38(29-9-5-4-6-10-29)41(51)48(3)26-27-13-21-33(44)22-14-27/h4-25,38H,26H2,1-3H3,(H,47,49)(H,52,53)(H,45,46,50)/t38-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391869
(CHEMBL2147301)Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(OC(C)C)cc3)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C35H32N4O4/c1-22(2)43-27-17-13-23(14-18-27)28-11-7-8-12-29(28)34(41)38-31-20-16-25-21-26(15-19-30(25)37-31)33(40)39-32(35(42)36-3)24-9-5-4-6-10-24/h4-22,32H,1-3H3,(H,36,42)(H,39,40)(H,37,38,41)/t32-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 0.101 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391871
(CHEMBL2147298)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(O)cc3)ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C39H31FN4O4/c1-44(24-25-11-17-30(40)18-12-25)39(48)36(27-7-3-2-4-8-27)43-37(46)29-15-21-34-28(23-29)16-22-35(41-34)42-38(47)33-10-6-5-9-32(33)26-13-19-31(45)20-14-26/h2-23,36,45H,24H2,1H3,(H,43,46)(H,41,42,47)/t36-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 0.105 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
Microsomal triglyceride transfer protein large subunit
(Homo sapiens (Human)) | BDBM50391872
(CHEMBL2147299)Show SMILES CC(CO)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C42H37FN4O5/c1-27(26-48)52-34-20-14-29(15-21-34)35-10-6-7-11-36(35)41(50)45-38-23-17-31-24-32(16-22-37(31)44-38)40(49)46-39(30-8-4-3-5-9-30)42(51)47(2)25-28-12-18-33(43)19-13-28/h3-24,27,39,48H,25-26H2,1-2H3,(H,46,49)(H,44,45,50)/t27?,39-/m0/s1 | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 0.122 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA |
Bioorg Med Chem Lett 21: 4150-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR |
More data for this
Ligand-Target Pair | |
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