Found 129 hits with Last Name = 'tae' and Initial = 'hs' 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 |
|---|
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550633
(CHEMBL4763515)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550634
(CHEMBL4791366)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117930
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescently labeled tracer binding method |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50514668
(CHEMBL4526368)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC6=O)C(C)C)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C218H355N71O71S8/c1-123(2)89-142-191(319)272-154(180(222)308)111-361-365-117-160-203(331)268-150(107-290)195(323)266-148(93-133-99-234-121-247-133)213(341)286-47-19-30-162(286)205(333)249-127(9)182(310)274-158(201(329)270-152(109-292)197(325)278-178(125(5)6)209(337)262-144(95-166(219)294)193(321)264-146(91-131-97-232-119-245-131)211(339)288-49-21-32-164(288)207(335)258-140(189(317)260-142)36-38-176(304)305)115-367-363-113-156(199(327)276-160)253-173(301)102-241-170(298)40-53-343-57-61-347-65-69-351-73-77-355-81-85-359-87-83-357-79-75-353-71-67-349-63-59-345-55-51-284-105-129(280-282-284)23-13-34-169(297)236-42-12-11-25-135(184(312)244-104-175(303)252-137(27-16-44-238-216(226)227)186(314)256-139(29-18-46-240-218(230)231)188(316)257-138(28-17-45-239-217(228)229)187(315)255-136(26-15-43-237-215(224)225)185(313)243-101-168(221)296)251-172(300)35-14-24-130-106-285(283-281-130)52-56-346-60-64-350-68-72-354-76-80-358-84-88-360-86-82-356-78-74-352-70-66-348-62-58-344-54-41-171(299)242-103-174(302)254-157-114-364-368-116-159-202(330)271-153(110-293)198(326)279-179(126(7)8)210(338)263-145(96-167(220)295)194(322)265-147(92-132-98-233-120-246-132)212(340)289-50-22-33-165(289)208(336)259-141(37-39-177(306)307)190(318)261-143(90-124(3)4)192(320)273-155(181(223)309)112-362-366-118-161(277-200(157)328)204(332)269-151(108-291)196(324)267-149(94-134-100-235-122-248-134)214(342)287-48-20-31-163(287)206(334)250-128(10)183(311)275-159/h97-100,105-106,119-128,135-165,178-179,290-293H,11-96,101-104,107-118H2,1-10H3,(H2,219,294)(H2,220,295)(H2,221,296)(H2,222,308)(H2,223,309)(H,232,245)(H,233,246)(H,234,247)(H,235,248)(H,236,297)(H,241,298)(H,242,299)(H,243,313)(H,244,312)(H,249,333)(H,250,334)(H,251,300)(H,252,303)(H,253,301)(H,254,302)(H,255,315)(H,256,314)(H,257,316)(H,258,335)(H,259,336)(H,260,317)(H,261,318)(H,262,337)(H,263,338)(H,264,321)(H,265,322)(H,266,323)(H,267,324)(H,268,331)(H,269,332)(H,270,329)(H,271,330)(H,272,319)(H,273,320)(H,274,310)(H,275,311)(H,276,327)(H,277,328)(H,278,325)(H,279,326)(H,304,305)(H,306,307)(H4,224,225,237)(H4,226,227,238)(H4,228,229,239)(H4,230,231,240)/t127-,128-,135?,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,178-,179-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550631
(CHEMBL4756657)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50601896
(CHEMBL5203781)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50032829
(CHEMBL1836968)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H95N25O18S4/c60-22-42(87)73-37-24-103-104-25-38-50(96)75-30(6-1-15-69-56(61)62)44(90)78-34(20-28-11-13-29(86)14-12-28)47(93)74-31(7-2-16-70-57(63)64)45(91)82-39(51(97)77-33(55(101)102)9-4-18-72-59(67)68)26-105-106-27-40(83-49(37)95)52(98)80-36(23-85)48(94)79-35(21-43(88)89)54(100)84-19-5-10-41(84)53(99)76-32(46(92)81-38)8-3-17-71-58(65)66/h11-14,30-41,85-86H,1-10,15-27,60H2,(H,73,87)(H,74,93)(H,75,96)(H,76,99)(H,77,97)(H,78,90)(H,79,94)(H,80,98)(H,81,92)(H,82,91)(H,83,95)(H,88,89)(H,101,102)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)(H4,67,68,72)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha9alpha10 nAChR |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550632
(CHEMBL4787614)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246545
(CHEMBL4065208)Show SMILES Oc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c28-19-2-4-20(5-3-19)29-23-9-12-25-22-13-16(1-6-21(22)23)17-14-26-27(15-17)18-7-10-24-11-8-18/h1-6,9,12-15,18,24,28H,7-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50445326
(CHEMBL3104239)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha9alpha10 nAChR |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50570461
(CHEMBL4847170)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CC#CC[C@@H](NC(=O)CN)C(=O)N[C@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human GABAB expressed in HEK293T cells co-transfected with human CaV2.2 channel assessed as inhibition of CaV2.2-mediated Ba2+ pe... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02151
BindingDB Entry DOI: 10.7270/Q2BR8WX6 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550638
(CHEMBL4762233)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(C)=O)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550636
(CHEMBL4745449)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50601896
(CHEMBL5203781)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50570462
(CHEMBL4856595)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human GABAB expressed in HEK293T cells co-transfected with human CaV2.2 channel assessed as inhibition of CaV2.2-mediated Ba2+ pe... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02151
BindingDB Entry DOI: 10.7270/Q2BR8WX6 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50445326
(CHEMBL3104239)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human)) | BDBM50550639
(CHEMBL4740566)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-curr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246555
(CHEMBL4086648)Show SMILES Oc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H23N5O/c29-20-4-2-18(3-5-20)27-22-9-12-25-23-13-16(1-6-21(22)23)17-14-26-28(15-17)19-7-10-24-11-8-19/h1-6,9,12-15,19,24,29H,7-8,10-11H2,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50550631
(CHEMBL4756657)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246543
(CHEMBL4087615)Show SMILES COc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H24N4O2/c1-29-20-3-5-21(6-4-20)30-24-10-13-26-23-14-17(2-7-22(23)24)18-15-27-28(16-18)19-8-11-25-12-9-19/h2-7,10,13-16,19,25H,8-9,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246469
(CHEMBL4102556)Show SMILES Fc1ccccc1Oc1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H21FN4O/c24-20-3-1-2-4-23(20)29-22-9-12-26-21-13-16(5-6-19(21)22)17-14-27-28(15-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50514670
(CHEMBL4555265)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCCNC(N)=N)NC6=O)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C194H327N71O61S8/c195-148(270)99-231-161(285)122(20-5-45-219-185(198)199)237-163(287)124(22-7-47-221-187(202)203)239-164(288)125(23-8-48-222-188(204)205)238-162(286)123(21-6-46-220-186(200)201)234-155(277)102-232-160(284)121(233-152(274)33-4-18-118-104-263(261-259-118)58-62-312-66-70-316-74-78-320-82-86-324-90-94-326-92-88-322-84-80-318-76-72-314-68-64-310-60-43-151(273)230-101-154(276)236-141-110-330-334-112-143-178(302)243-127(25-10-50-224-190(208)209)166(290)247-133(96-116-36-40-120(269)41-37-116)172(296)241-129(27-12-52-226-192(212)213)168(292)253-139(159(197)283)108-328-332-114-145(257-176(141)300)180(304)251-137(106-267)174(298)249-135(98-157(280)281)184(308)265-56-16-31-147(265)182(306)245-131(170(294)255-143)29-14-54-228-194(216)217)19-1-2-44-218-149(271)32-3-17-117-103-262(260-258-117)57-61-311-65-69-315-73-77-319-81-85-323-89-93-325-91-87-321-83-79-317-75-71-313-67-63-309-59-42-150(272)229-100-153(275)235-140-109-329-333-111-142-177(301)242-126(24-9-49-223-189(206)207)165(289)246-132(95-115-34-38-119(268)39-35-115)171(295)240-128(26-11-51-225-191(210)211)167(291)252-138(158(196)282)107-327-331-113-144(256-175(140)299)179(303)250-136(105-266)173(297)248-134(97-156(278)279)183(307)264-55-15-30-146(264)181(305)244-130(169(293)254-142)28-13-53-227-193(214)215/h34-41,103-104,121-147,266-269H,1-33,42-102,105-114H2,(H2,195,270)(H2,196,282)(H2,197,283)(H,218,271)(H,229,272)(H,230,273)(H,231,285)(H,232,284)(H,233,274)(H,234,277)(H,235,275)(H,236,276)(H,237,287)(H,238,286)(H,239,288)(H,240,295)(H,241,296)(H,242,301)(H,243,302)(H,244,305)(H,245,306)(H,246,289)(H,247,290)(H,248,297)(H,249,298)(H,250,303)(H,251,304)(H,252,291)(H,253,292)(H,254,293)(H,255,294)(H,256,299)(H,257,300)(H,278,279)(H,280,281)(H4,198,199,219)(H4,200,201,220)(H4,202,203,221)(H4,204,205,222)(H4,206,207,223)(H4,208,209,224)(H4,210,211,225)(H4,212,213,226)(H4,214,215,227)(H4,216,217,228)/t121?,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246489
(CHEMBL4091441)Show SMILES Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50514670
(CHEMBL4555265)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCCNC(N)=N)NC6=O)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C194H327N71O61S8/c195-148(270)99-231-161(285)122(20-5-45-219-185(198)199)237-163(287)124(22-7-47-221-187(202)203)239-164(288)125(23-8-48-222-188(204)205)238-162(286)123(21-6-46-220-186(200)201)234-155(277)102-232-160(284)121(233-152(274)33-4-18-118-104-263(261-259-118)58-62-312-66-70-316-74-78-320-82-86-324-90-94-326-92-88-322-84-80-318-76-72-314-68-64-310-60-43-151(273)230-101-154(276)236-141-110-330-334-112-143-178(302)243-127(25-10-50-224-190(208)209)166(290)247-133(96-116-36-40-120(269)41-37-116)172(296)241-129(27-12-52-226-192(212)213)168(292)253-139(159(197)283)108-328-332-114-145(257-176(141)300)180(304)251-137(106-267)174(298)249-135(98-157(280)281)184(308)265-56-16-31-147(265)182(306)245-131(170(294)255-143)29-14-54-228-194(216)217)19-1-2-44-218-149(271)32-3-17-117-103-262(260-258-117)57-61-311-65-69-315-73-77-319-81-85-323-89-93-325-91-87-321-83-79-317-75-71-313-67-63-309-59-42-150(272)229-100-153(275)235-140-109-329-333-111-142-177(301)242-126(24-9-49-223-189(206)207)165(289)246-132(95-115-34-38-119(268)39-35-115)171(295)240-128(26-11-51-225-191(210)211)167(291)252-138(158(196)282)107-327-331-113-144(256-175(140)299)179(303)250-136(105-266)173(297)248-134(97-156(278)279)183(307)264-55-15-30-146(264)181(305)244-130(169(293)254-142)28-13-53-227-193(214)215/h34-41,103-104,121-147,266-269H,1-33,42-102,105-114H2,(H2,195,270)(H2,196,282)(H2,197,283)(H,218,271)(H,229,272)(H,230,273)(H,231,285)(H,232,284)(H,233,274)(H,234,277)(H,235,275)(H,236,276)(H,237,287)(H,238,286)(H,239,288)(H,240,295)(H,241,296)(H,242,301)(H,243,302)(H,244,305)(H,245,306)(H,246,289)(H,247,290)(H,248,297)(H,249,298)(H,250,303)(H,251,304)(H,252,291)(H,253,292)(H,254,293)(H,255,294)(H,256,299)(H,257,300)(H,278,279)(H,280,281)(H4,198,199,219)(H4,200,201,220)(H4,202,203,221)(H4,204,205,222)(H4,206,207,223)(H4,208,209,224)(H4,210,211,225)(H4,212,213,226)(H4,214,215,227)(H4,216,217,228)/t121?,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp ass... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266942
(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyp...)Show SMILES COc1ccc(C2=NC(C(N2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 |
Bioorg Med Chem Lett 18: 5904-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.114
BindingDB Entry DOI: 10.7270/Q2W66MPF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50601894
(CHEMBL5196098)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50445324
(CHEMBL3104237)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2 |r,wU:67.70,91.95,108.112,62.127,42.44,24.25,17.21,4.3,wD:76.78,97.101,112.117,54.57,34.36,8.8,2.2,81.88,(55.19,-36.32,;53.78,-35.65,;52.52,-36.52,;52.65,-38.06,;51.13,-35.87,;51.01,-34.33,;52.27,-33.46,;53.66,-34.12,;52.15,-31.93,;50.75,-31.26,;49.48,-32.14,;48.1,-31.48,;47.97,-29.94,;46.83,-32.36,;53.41,-31.05,;53.28,-29.52,;51.9,-28.85,;54.5,-28.57,;55.91,-29.23,;56.84,-27.84,;55.8,-26.53,;54.23,-27.08,;52.9,-26.34,;51.56,-27.13,;52.88,-24.78,;54.19,-24.01,;55.72,-24.26,;56.82,-23.2,;58.17,-23.91,;57.93,-25.42,;56.4,-25.64,;51.54,-24.04,;51.53,-22.49,;52.85,-21.71,;50.2,-21.74,;48.86,-22.53,;48.88,-24.06,;47.55,-24.85,;50.21,-24.8,;50.18,-20.18,;48.86,-19.44,;47.51,-20.23,;48.83,-17.88,;50.14,-17.11,;51.5,-17.87,;52.82,-17.11,;54.16,-17.87,;54.16,-19.4,;55.5,-20.15,;52.83,-20.18,;51.5,-19.42,;47.5,-17.13,;46.17,-16.36,;46.17,-14.84,;44.84,-17.12,;44.84,-18.68,;46.17,-19.45,;47.49,-18.68,;46.17,-20.99,;43.51,-16.35,;42.18,-17.11,;42.18,-18.66,;40.83,-16.33,;40.83,-14.82,;42.18,-14.03,;20.03,-14.1,;18.58,-14.61,;18.28,-16.11,;16.83,-16.62,;15.67,-15.61,;15.96,-14.1,;14.21,-16.11,;13.04,-15.1,;19.45,-17.12,;19.15,-18.64,;20.91,-16.63,;22.06,-17.64,;21.77,-19.15,;22.93,-20.16,;46.07,-39.37,;47.33,-38.5,;48.73,-39.15,;49.99,-38.28,;49.87,-36.74,;48.48,-36.09,;48.85,-40.69,;47.58,-41.56,;50.24,-41.34,;23.52,-17.13,;23.82,-15.62,;24.68,-18.15,;26.14,-17.64,;26.43,-16.13,;27.88,-15.64,;27.3,-18.65,;27.01,-20.16,;28.75,-18.14,;29.92,-19.16,;29.63,-20.66,;30.79,-21.67,;30.51,-23.18,;32.26,-21.16,;31.37,-18.65,;32.54,-19.65,;31.58,-17.12,;30.46,-15.87,;31.29,-14.42,;32.93,-14.77,;32.83,-16.32,;34.18,-17.09,;34.18,-18.62,;35.51,-16.32,;36.85,-17.09,;36.85,-18.64,;38.17,-19.4,;38.17,-20.95,;39.49,-21.72,;39.49,-23.27,;40.81,-24.03,;38.14,-24.05,;38.16,-16.32,;38.16,-14.8,;39.51,-17.1,)| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha9alpha10 nAChR |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50514670
(CHEMBL4555265)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCCNC(N)=N)NC6=O)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C194H327N71O61S8/c195-148(270)99-231-161(285)122(20-5-45-219-185(198)199)237-163(287)124(22-7-47-221-187(202)203)239-164(288)125(23-8-48-222-188(204)205)238-162(286)123(21-6-46-220-186(200)201)234-155(277)102-232-160(284)121(233-152(274)33-4-18-118-104-263(261-259-118)58-62-312-66-70-316-74-78-320-82-86-324-90-94-326-92-88-322-84-80-318-76-72-314-68-64-310-60-43-151(273)230-101-154(276)236-141-110-330-334-112-143-178(302)243-127(25-10-50-224-190(208)209)166(290)247-133(96-116-36-40-120(269)41-37-116)172(296)241-129(27-12-52-226-192(212)213)168(292)253-139(159(197)283)108-328-332-114-145(257-176(141)300)180(304)251-137(106-267)174(298)249-135(98-157(280)281)184(308)265-56-16-31-147(265)182(306)245-131(170(294)255-143)29-14-54-228-194(216)217)19-1-2-44-218-149(271)32-3-17-117-103-262(260-258-117)57-61-311-65-69-315-73-77-319-81-85-323-89-93-325-91-87-321-83-79-317-75-71-313-67-63-309-59-42-150(272)229-100-153(275)235-140-109-329-333-111-142-177(301)242-126(24-9-49-223-189(206)207)165(289)246-132(95-115-34-38-119(268)39-35-115)171(295)240-128(26-11-51-225-191(210)211)167(291)252-138(158(196)282)107-327-331-113-144(256-175(140)299)179(303)250-136(105-266)173(297)248-134(97-156(278)279)183(307)264-55-15-30-146(264)181(305)244-130(169(293)254-142)28-13-53-227-193(214)215/h34-41,103-104,121-147,266-269H,1-33,42-102,105-114H2,(H2,195,270)(H2,196,282)(H2,197,283)(H,218,271)(H,229,272)(H,230,273)(H,231,285)(H,232,284)(H,233,274)(H,234,277)(H,235,275)(H,236,276)(H,237,287)(H,238,286)(H,239,288)(H,240,295)(H,241,296)(H,242,301)(H,243,302)(H,244,305)(H,245,306)(H,246,289)(H,247,290)(H,248,297)(H,249,298)(H,250,303)(H,251,304)(H,252,291)(H,253,292)(H,254,293)(H,255,294)(H,256,299)(H,257,300)(H,278,279)(H,280,281)(H4,198,199,219)(H4,200,201,220)(H4,202,203,221)(H4,204,205,222)(H4,206,207,223)(H4,208,209,224)(H4,210,211,225)(H4,212,213,226)(H4,214,215,227)(H4,216,217,228)/t121?,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes expressing alpha9:alpha10 mRNA injection ratio of 1:3 assessed as inhibit... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246496
(CHEMBL4070113)Show SMILES C1CC(CCN1)n1cc(cn1)-c1ccc2c(Oc3ccccc3)ccnc2c1 Show InChI InChI=1S/C23H22N4O/c1-2-4-20(5-3-1)28-23-10-13-25-22-14-17(6-7-21(22)23)18-15-26-27(16-18)19-8-11-24-12-9-19/h1-7,10,13-16,19,24H,8-9,11-12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246486
(CHEMBL4083663)Show SMILES Fc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1F Show InChI InChI=1S/C23H20F2N4O/c24-20-4-2-18(12-21(20)25)30-23-7-10-27-22-11-15(1-3-19(22)23)16-13-28-29(14-16)17-5-8-26-9-6-17/h1-4,7,10-14,17,26H,5-6,8-9H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246542
(CHEMBL4064669)Show SMILES Fc1cccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)c1 Show InChI InChI=1S/C23H21FN4O/c24-18-2-1-3-20(13-18)29-23-8-11-26-22-12-16(4-5-21(22)23)17-14-27-28(15-17)19-6-9-25-10-7-19/h1-5,8,11-15,19,25H,6-7,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246471
(CHEMBL4073990)Show SMILES Fc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1F Show InChI InChI=1S/C23H21F2N5/c24-20-4-2-17(12-21(20)25)29-22-7-10-27-23-11-15(1-3-19(22)23)16-13-28-30(14-16)18-5-8-26-9-6-18/h1-4,7,10-14,18,26H,5-6,8-9H2,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246441
(CHEMBL4076799)Show SMILES Cc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H25N5/c1-17-2-5-20(6-3-17)28-23-10-13-26-24-14-18(4-7-22(23)24)19-15-27-29(16-19)21-8-11-25-12-9-21/h2-7,10,13-16,21,25H,8-9,11-12H2,1H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246556
(CHEMBL4084608)Show SMILES Fc1ccccc1Nc1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H22FN5/c24-20-3-1-2-4-22(20)28-21-9-12-26-23-13-16(5-6-19(21)23)17-14-27-29(15-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50601894
(CHEMBL5196098)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246511
(CHEMBL4095317)Show SMILES N#Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H21N5O/c25-14-17-1-4-21(5-2-17)30-24-9-12-27-23-13-18(3-6-22(23)24)19-15-28-29(16-19)20-7-10-26-11-8-20/h1-6,9,12-13,15-16,20,26H,7-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461915
(CHEMBL4226390)Show SMILES NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC1=O |r| Show InChI InChI=1S/C53H84N22O16S4/c54-19-38(78)65-34-22-93-95-23-35-47(88)67-27(5-1-13-62-51(56)57)41(82)69-30(17-25-9-11-26(77)12-10-25)44(85)66-28(6-2-14-63-52(58)59)42(83)72-33(40(55)81)21-92-94-24-36(74-46(34)87)48(89)71-32(20-76)45(86)70-31(18-39(79)80)50(91)75-16-4-8-37(75)49(90)68-29(43(84)73-35)7-3-15-64-53(60)61/h9-12,27-37,76-77H,1-8,13-24,54H2,(H2,55,81)(H,65,78)(H,66,85)(H,67,88)(H,68,90)(H,69,82)(H,70,86)(H,71,89)(H,72,83)(H,73,84)(H,74,87)(H,79,80)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246449
(CHEMBL4073257)Show SMILES Fc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H21FN4O/c24-18-2-4-20(5-3-18)29-23-9-12-26-22-13-16(1-6-21(22)23)17-14-27-28(15-17)19-7-10-25-11-8-19/h1-6,9,12-15,19,25H,7-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50601896
(CHEMBL5203781)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50514669
(CHEMBL4574008)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CC(N)=O)NC6=O)[C@@H](C)CC)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C230H365N73O79S8/c1-5-129(3)188-219(359)286-160(190(234)330)119-383-387-125-166-213(353)284-158(117-304)207(347)282-156(107-186(326)327)223(363)302-59-19-30-168(302)215(355)270-144(28-15-55-255-229(244)245)197(337)288-164(211(351)276-150(103-172(231)308)203(343)274-148(99-131-36-40-137(306)41-37-131)201(341)278-152(105-184(322)323)205(345)280-154(101-135-109-248-127-261-135)221(361)300-57-17-32-170(300)217(357)272-146(199(339)292-188)44-46-182(318)319)123-389-385-121-162(209(349)290-166)265-179(315)112-257-176(312)48-63-365-67-71-369-75-79-373-83-87-377-91-95-381-97-93-379-89-85-375-81-77-371-73-69-367-65-61-298-115-133(294-296-298)21-9-34-175(311)250-50-8-7-23-139(192(332)260-114-181(317)264-141(25-12-52-252-226(238)239)194(334)268-143(27-14-54-254-228(242)243)196(336)269-142(26-13-53-253-227(240)241)195(335)267-140(24-11-51-251-225(236)237)193(333)259-111-174(233)310)263-178(314)35-10-22-134-116-299(297-295-134)62-66-368-70-74-372-78-82-376-86-90-380-94-98-382-96-92-378-88-84-374-80-76-370-72-68-366-64-49-177(313)258-113-180(316)266-163-122-386-390-124-165-212(352)277-151(104-173(232)309)204(344)275-149(100-132-38-42-138(307)43-39-132)202(342)279-153(106-185(324)325)206(346)281-155(102-136-110-249-128-262-136)222(362)301-58-18-33-171(301)218(358)273-147(45-47-183(320)321)200(340)293-189(130(4)6-2)220(360)287-161(191(235)331)120-384-388-126-167(291-210(163)350)214(354)285-159(118-305)208(348)283-157(108-187(328)329)224(364)303-60-20-31-169(303)216(356)271-145(198(338)289-165)29-16-56-256-230(246)247/h36-43,109-110,115-116,127-130,139-171,188-189,304-307H,5-35,44-108,111-114,117-126H2,1-4H3,(H2,231,308)(H2,232,309)(H2,233,310)(H2,234,330)(H2,235,331)(H,248,261)(H,249,262)(H,250,311)(H,257,312)(H,258,313)(H,259,333)(H,260,332)(H,263,314)(H,264,317)(H,265,315)(H,266,316)(H,267,335)(H,268,334)(H,269,336)(H,270,355)(H,271,356)(H,272,357)(H,273,358)(H,274,343)(H,275,344)(H,276,351)(H,277,352)(H,278,341)(H,279,342)(H,280,345)(H,281,346)(H,282,347)(H,283,348)(H,284,353)(H,285,354)(H,286,359)(H,287,360)(H,288,337)(H,289,338)(H,290,349)(H,291,350)(H,292,339)(H,293,340)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H4,236,237,251)(H4,238,239,252)(H4,240,241,253)(H4,242,243,254)(H4,244,245,255)(H4,246,247,256)/t129-,130-,139?,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,188-,189-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50601896
(CHEMBL5203781)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246485
(CHEMBL4091078)Show SMILES C(c1ccccc1)c1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H24N4/c1-2-4-18(5-3-1)14-20-8-13-26-24-15-19(6-7-23(20)24)21-16-27-28(17-21)22-9-11-25-12-10-22/h1-8,13,15-17,22,25H,9-12,14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50514668
(CHEMBL4526368)Show SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC6=O)C(C)C)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C218H355N71O71S8/c1-123(2)89-142-191(319)272-154(180(222)308)111-361-365-117-160-203(331)268-150(107-290)195(323)266-148(93-133-99-234-121-247-133)213(341)286-47-19-30-162(286)205(333)249-127(9)182(310)274-158(201(329)270-152(109-292)197(325)278-178(125(5)6)209(337)262-144(95-166(219)294)193(321)264-146(91-131-97-232-119-245-131)211(339)288-49-21-32-164(288)207(335)258-140(189(317)260-142)36-38-176(304)305)115-367-363-113-156(199(327)276-160)253-173(301)102-241-170(298)40-53-343-57-61-347-65-69-351-73-77-355-81-85-359-87-83-357-79-75-353-71-67-349-63-59-345-55-51-284-105-129(280-282-284)23-13-34-169(297)236-42-12-11-25-135(184(312)244-104-175(303)252-137(27-16-44-238-216(226)227)186(314)256-139(29-18-46-240-218(230)231)188(316)257-138(28-17-45-239-217(228)229)187(315)255-136(26-15-43-237-215(224)225)185(313)243-101-168(221)296)251-172(300)35-14-24-130-106-285(283-281-130)52-56-346-60-64-350-68-72-354-76-80-358-84-88-360-86-82-356-78-74-352-70-66-348-62-58-344-54-41-171(299)242-103-174(302)254-157-114-364-368-116-159-202(330)271-153(110-293)198(326)279-179(126(7)8)210(338)263-145(96-167(220)295)194(322)265-147(92-132-98-233-120-246-132)212(340)289-50-22-33-165(289)208(336)259-141(37-39-177(306)307)190(318)261-143(90-124(3)4)192(320)273-155(181(223)309)112-362-366-118-161(277-200(157)328)204(332)269-151(108-291)196(324)267-149(94-134-100-235-122-248-134)214(342)287-48-20-31-163(287)206(334)250-128(10)183(311)275-159/h97-100,105-106,119-128,135-165,178-179,290-293H,11-96,101-104,107-118H2,1-10H3,(H2,219,294)(H2,220,295)(H2,221,296)(H2,222,308)(H2,223,309)(H,232,245)(H,233,246)(H,234,247)(H,235,248)(H,236,297)(H,241,298)(H,242,299)(H,243,313)(H,244,312)(H,249,333)(H,250,334)(H,251,300)(H,252,303)(H,253,301)(H,254,302)(H,255,315)(H,256,314)(H,257,316)(H,258,335)(H,259,336)(H,260,317)(H,261,318)(H,262,337)(H,263,338)(H,264,321)(H,265,322)(H,266,323)(H,267,324)(H,268,331)(H,269,332)(H,270,329)(H,271,330)(H,272,319)(H,273,320)(H,274,310)(H,275,311)(H,276,327)(H,277,328)(H,278,325)(H,279,326)(H,304,305)(H,306,307)(H4,224,225,237)(H4,226,227,238)(H4,228,229,239)(H4,230,231,240)/t127-,128-,135?,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,178-,179-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp ass... |
J Med Chem 63: 2974-2985 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01536
BindingDB Entry DOI: 10.7270/Q2Z89GSK |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50550632
(CHEMBL4787614)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potentia... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01343
BindingDB Entry DOI: 10.7270/Q2PR80MH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50246490
(CHEMBL4092349)Show SMILES Fc1cccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)c1 Show InChI InChI=1S/C23H22FN5/c24-18-2-1-3-19(13-18)28-22-8-11-26-23-12-16(4-5-21(22)23)17-14-27-29(15-17)20-6-9-25-10-7-20/h1-5,8,11-15,20,25H,6-7,9-10H2,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte... |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50133328
(CHEMBL3632807)Show SMILES CC1(C)CCC2=C(O1)c1ccc(cc1C(=O)C2=O)[N+]([O-])=O |c:5| Show InChI InChI=1S/C15H13NO5/c1-15(2)6-5-10-12(17)13(18)11-7-8(16(19)20)3-4-9(11)14(10)21-15/h3-4,7H,5-6H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Basic Science (IBS)
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate |
J Med Chem 58: 8491-502 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50601895
(CHEMBL5192422)Show SMILES NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50133350
(8-methoxy-beta-lapachone | CHEMBL2036880)Show SMILES COc1ccc2C3=C(CCC(C)(C)O3)C(=O)C(=O)c2c1 |t:6| Show InChI InChI=1S/C16H16O4/c1-16(2)7-6-11-13(17)14(18)12-8-9(19-3)4-5-10(12)15(11)20-16/h4-5,8H,6-7H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Basic Science (IBS)
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate |
J Med Chem 58: 8491-502 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 G154N mutant nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Search and Browse
