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Compile Data Set for Download or QSAR

Found 31 hits of ec50 data for polymerid = 858   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Insulin receptor


(Homo sapiens (Human))		BDBM50506238
PNG
(CHEMBL4457859)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCSC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C258H385N65O77S6/c1-29-132(23)206(314-194(340)104-260)253(394)318-205(131(21)22)249(390)289-160(75-82-201(350)351)218(359)283-157(71-78-190(264)336)222(363)308-181-113-401-121-402-114-182-243(384)306-179(111-325)241(382)295-163(88-124(7)8)226(367)296-169(95-141-53-61-147(330)62-54-141)229(370)284-155(69-76-188(262)334)219(360)291-162(87-123(5)6)224(365)286-159(74-81-200(348)349)221(362)303-175(101-191(265)337)236(377)299-171(97-143-57-65-149(332)66-58-143)232(373)310-185(245(386)305-177(256(397)398)103-193(267)339)117-405-404-116-184(215(356)274-107-195(341)279-154(72-79-198(344)345)217(358)282-152(51-42-84-272-258(268)269)213(354)273-108-196(342)280-167(93-139-46-36-32-37-47-139)228(369)298-168(94-140-48-38-33-39-49-140)231(372)300-172(98-144-59-67-150(333)68-60-144)239(380)321-209(136(27)328)255(396)323-85-43-52-187(323)247(388)287-153(50-40-41-83-259)223(364)322-210(137(28)329)257(399)400)313-251(392)204(130(19)20)317-237(378)165(90-126(11)12)293-230(371)170(96-142-55-63-148(331)64-56-142)297-225(366)161(86-122(3)4)290-211(352)134(25)278-216(357)158(73-80-199(346)347)288-248(389)203(129(17)18)316-238(379)166(91-127(13)14)294-234(375)174(100-146-106-271-120-277-146)302-240(381)178(110-324)281-197(343)109-275-214(355)183(115-403-406-118-186(311-244(181)385)246(387)320-208(135(26)327)254(395)307-180(112-326)242(383)319-207(133(24)30-2)252(393)312-182)309-227(368)164(89-125(9)10)292-233(374)173(99-145-105-270-119-276-145)301-220(361)156(70-77-189(263)335)285-235(376)176(102-192(266)338)304-250(391)202(128(15)16)315-212(353)151(261)92-138-44-34-31-35-45-138/h31-39,44-49,53-68,105-106,119-120,122-137,151-187,202-210,324-333H,29-30,40-43,50-52,69-104,107-118,121,259-261H2,1-28H3,(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H2,266,338)(H2,267,339)(H,270,276)(H,271,277)(H,273,354)(H,274,356)(H,275,355)(H,278,357)(H,279,341)(H,280,342)(H,281,343)(H,282,358)(H,283,359)(H,284,370)(H,285,376)(H,286,365)(H,287,388)(H,288,389)(H,289,390)(H,290,352)(H,291,360)(H,292,374)(H,293,371)(H,294,375)(H,295,382)(H,296,367)(H,297,366)(H,298,369)(H,299,377)(H,300,372)(H,301,361)(H,302,381)(H,303,362)(H,304,391)(H,305,386)(H,306,384)(H,307,395)(H,308,363)(H,309,368)(H,310,373)(H,311,385)(H,312,393)(H,313,392)(H,314,340)(H,315,353)(H,316,379)(H,317,378)(H,318,394)(H,319,383)(H,320,387)(H,321,380)(H,322,364)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,268,269,272)/t132-,133-,134-,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182+,183+,184+,185-,186-,187-,202-,203-,204-,205-,206-,207-,208-,209-,210-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human IR-beta signalling expressed in mouse 3T3 cells assessed as AKT phosphorylation at Ser473 residue after 30 mins by HTRF ass...

J Med Chem 62: 11437-11443 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01589
BindingDB Entry DOI: 10.7270/Q26Q21HM
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50548050
PNG
(CHEMBL4762540)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF ...

Citation and Details

Article DOI: 10.1039/d0md00173b
BindingDB Entry DOI: 10.7270/Q20005PN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50548049
PNG
(CHEMBL4751178)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF ...

Citation and Details

Article DOI: 10.1039/d0md00173b
BindingDB Entry DOI: 10.7270/Q20005PN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50548048
PNG
(CHEMBL4764550)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF ...

Citation and Details

Article DOI: 10.1039/d0md00173b
BindingDB Entry DOI: 10.7270/Q20005PN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50548047
PNG
(CHEMBL4753825)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC3=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)NC1=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF ...

Citation and Details

Article DOI: 10.1039/d0md00173b
BindingDB Entry DOI: 10.7270/Q20005PN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50548051
PNG
(CHEMBL4748140)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF ...

Citation and Details

Article DOI: 10.1039/d0md00173b
BindingDB Entry DOI: 10.7270/Q20005PN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313069
PNG
(1-(6-chloroquinazolin-4-yl)-N3-(4-(2-(pyrrolidin-1...)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(Cl)cc12
Show InChI InChI=1S/C22H23ClN8O/c23-15-3-8-19-18(13-15)20(26-14-25-19)31-21(24)28-22(29-31)27-16-4-6-17(7-5-16)32-12-11-30-9-1-2-10-30/h3-8,13-14H,1-2,9-12H2,(H3,24,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313084
PNG
(1-(6-fluoroquinazolin-4-yl)-N3-(4-(2-(pyrrolidin-1...)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(F)cc12
Show InChI InChI=1S/C22H23FN8O/c23-15-3-8-19-18(13-15)20(26-14-25-19)31-21(24)28-22(29-31)27-16-4-6-17(7-5-16)32-12-11-30-9-1-2-10-30/h3-8,13-14H,1-2,9-12H2,(H3,24,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 126n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313027
PNG
(N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12
Show InChI InChI=1S/C22H23ClN8O/c23-20-26-18-6-2-1-5-17(18)19(27-20)31-21(24)28-22(29-31)25-15-7-9-16(10-8-15)32-14-13-30-11-3-4-12-30/h1-2,5-10H,3-4,11-14H2,(H3,24,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 241n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269393
PNG
(CHEMBL4078564)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C24H24N8OS/c25-23-29-24(28-16-7-9-17(10-8-16)33-14-13-31-11-3-4-12-31)30-32(23)22-21-20(26-15-27-22)18-5-1-2-6-19(18)34-21/h1-2,5-10,15H,3-4,11-14H2,(H3,25,28,29,30)
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n/an/an/an/a 300n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092150
PNG
(2,5-Dihydroxy-3-(1-methyl-1H-indol-3-yl)-6-phenyl-...)
Show SMILES Cn1cc(C2C(=O)C(=O)C(C(=O)C2=O)c2ccccc2)c2ccccc12 |(5.37,-8.94,;5.35,-7.4,;6.59,-6.49,;6.1,-5.04,;7.43,-4.27,;8.76,-5.02,;8.76,-6.56,;10.09,-4.27,;11.42,-5.04,;10.09,-2.73,;8.76,-1.94,;8.76,-.4,;7.43,-2.73,;6.1,-1.96,;11.42,-1.96,;12.75,-2.74,;14.08,-1.97,;14.09,-.43,;12.75,.34,;11.42,-.43,;4.58,-5.04,;3.52,-3.88,;1.99,-4.23,;1.52,-5.72,;2.6,-6.87,;4.11,-6.53,)|
Show InChI InChI=1S/C21H15NO4/c1-22-11-14(13-9-5-6-10-15(13)22)17-20(25)18(23)16(19(24)21(17)26)12-7-3-2-4-8-12/h2-11,16-17H,1H3
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092143
PNG
(2,5-Dihydroxy-3-(1H-indol-3-yl)-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(c2c[nH]c3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(7.38,-5.53,;7.38,-3.99,;6.05,-3.23,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;8.71,-3.23,;10.04,-4,;10.04,-.92,;10.04,.62,;11.37,1.39,;12.72,.61,;12.7,-.93,;11.37,-1.69,)|
Show InChI InChI=1S/C20H13NO4/c22-17-15(11-6-2-1-3-7-11)18(23)20(25)16(19(17)24)13-10-21-14-9-5-4-8-12(13)14/h1-10,15-16,21H
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313086
PNG
(1-(2-methylquinazolin-4-yl)-N3-(4-(2-(pyrrolidin-1...)
Show SMILES Cc1nc(-n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c2ccccc2n1
Show InChI InChI=1S/C23H26N8O/c1-16-25-20-7-3-2-6-19(20)21(26-16)31-22(24)28-23(29-31)27-17-8-10-18(11-9-17)32-15-14-30-12-4-5-13-30/h2-3,6-11H,4-5,12-15H2,1H3,(H3,24,27,28,29)
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n/an/an/an/a 320n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313081
PNG
(1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N...)
Show SMILES Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N
Show InChI InChI=1S/C21H23ClN8OS/c1-13-12-32-17-16(13)25-19(22)26-18(17)30-20(23)27-21(28-30)24-14-4-6-15(7-5-14)31-11-10-29-8-2-3-9-29/h4-7,12H,2-3,8-11H2,1H3,(H3,23,24,27,28)
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n/an/an/an/a 582n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of InsR by cellular assay

Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092148
PNG
(2-Benzo[b]thiophen-3-yl-3,6-dihydroxy-5-phenyl-[1,...)
Show SMILES O=C1C(c2csc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
Show InChI InChI=1S/C20H12O4S/c21-17-15(11-6-2-1-3-7-11)18(22)20(24)16(19(17)23)13-10-25-14-9-5-4-8-12(13)14/h1-10,15-16H
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269375
PNG
(CHEMBL4086420)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2CCCc12
Show InChI InChI=1S/C21H26N8O/c22-20-26-21(27-29(20)19-17-4-3-5-18(17)23-14-24-19)25-15-6-8-16(9-7-15)30-13-12-28-10-1-2-11-28/h6-9,14H,1-5,10-13H2,(H3,22,25,26,27)
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n/an/an/an/a 1.01E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313137
PNG
(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-(1-methylpi...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)C4CCN(C)CC4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H28N8O2/c1-31-10-8-16(9-11-31)15-4-6-17(7-5-15)28-24-29-23(25)32(30-24)22-18-12-20(33-2)21(34-3)13-19(18)26-14-27-22/h4-7,12-14,16H,8-11H2,1-3H3,(H3,25,28,29,30)
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n/an/an/an/a 1.32E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092146
PNG
(2-Benzofuran-3-yl-3,6-dihydroxy-5-phenyl-[1,4]benz...)
Show SMILES O=C1C(c2coc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
Show InChI InChI=1S/C20H12O5/c21-17-15(11-6-2-1-3-7-11)18(22)20(24)16(19(17)23)13-10-25-14-9-5-4-8-12(13)14/h1-10,15-16H
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313124
PNG
(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-(1-methylpi...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H28N8O3/c1-31-10-4-5-17(13-31)35-16-8-6-15(7-9-16)28-24-29-23(25)32(30-24)22-18-11-20(33-2)21(34-3)12-19(18)26-14-27-22/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3,(H3,25,28,29,30)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
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n/an/an/an/a>2.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of InsR by cellular assay

Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269384
PNG
(CHEMBL4095081)
Show SMILES Nc1nc(Nc2ccc(OCCN3CCCC3)c(F)c2)nn1C(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C25H30FN7O3/c26-21-17-19(5-8-22(21)36-16-11-31-9-1-2-10-31)28-25-29-24(27)33(30-25)23(34)18-3-6-20(7-4-18)32-12-14-35-15-13-32/h3-8,17H,1-2,9-16H2,(H3,27,28,29,30)
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n/an/an/an/a 2.75E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313080
PNG
(N3-(3-chloro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(OCCN5CCCC5)c(Cl)c4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H27ClN8O3/c1-34-20-12-16-18(13-21(20)35-2)27-14-28-22(16)33-23(26)30-24(31-33)29-15-5-6-19(17(25)11-15)36-10-9-32-7-3-4-8-32/h5-6,11-14H,3-4,7-10H2,1-2H3,(H3,26,29,30,31)
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n/an/an/an/a 4.17E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269389
PNG
(CHEMBL4069483)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CCN(C)CC4)nc3N)c2cc1OC
Show InChI InChI=1S/C23H27N9O2/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)27-23-28-22(24)32(29-23)21-17-12-19(33-2)20(34-3)13-18(17)25-14-26-21/h4-7,12-14H,8-11H2,1-3H3,(H3,24,27,28,29)
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n/an/an/an/a 4.58E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM313140
PNG
(1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-((S)-3-(dim...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CC[C@@H](C4)N(C)C)nc3N)c2cc1OC
Show InChI InChI=1S/C24H29N9O2/c1-31(2)17-9-10-32(13-17)16-7-5-15(6-8-16)28-24-29-23(25)33(30-24)22-18-11-20(34-3)21(35-4)12-19(18)26-14-27-22/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H3,25,28,29,30)/t17-/m0/s1
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n/an/an/an/a 4.76E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092149
PNG
(2-[2-(1,1-Dimethyl-allyl)-1H-indol-3-yl]-3,6-dihyd...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(5.39,-12.8,;3.74,-12.6,;3.36,-14.14,;2.66,-11.5,;2.67,-9.96,;3.99,-9.21,;3.29,-7.84,;4.11,-6.54,;5.65,-6.61,;6.37,-7.96,;7.86,-8.35,;7.97,-9.89,;6.54,-10.48,;5.53,-9.28,;9.05,-7.37,;10.38,-8.12,;10.37,-9.66,;11.71,-7.37,;13.04,-8.14,;11.71,-5.83,;14.18,-4.18,;14.07,-2.64,;15.49,-2.07,;16.47,-3.25,;18.01,-3.3,;18.74,-4.65,;17.93,-5.97,;16.39,-5.91,;15.65,-4.55,;12.76,-1.83,;11.85,-.63,;12.26,-2.96,;13.9,-.78,;13.94,.76,;10.38,-5.04,;10.37,-3.51,;9.05,-5.83,;7.72,-5.06,)|
Show InChI InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,24-25,33-34H,1,15H2,2-5H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269390
PNG
(CHEMBL4080190)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CCCCC5)c(F)c4)nc3N)c2cc1OC
Show InChI InChI=1S/C28H34FN9O2/c1-39-24-15-20-22(16-25(24)40-2)31-17-32-26(20)38-27(30)34-28(35-38)33-18-8-9-23(21(29)14-18)37-12-10-36(11-13-37)19-6-4-3-5-7-19/h8-9,14-17,19H,3-7,10-13H2,1-2H3,(H3,30,33,34,35)
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n/an/an/an/a 5.03E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092147
PNG
(2,5-Dihydroxy-3-naphthalen-1-yl-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(C(=O)C(=O)C(C1=O)c1cccc2ccccc12)c1ccccc1 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;3.37,-7.14,;2.06,-6.38,;2.04,-4.85,;3.39,-4.08,;4.71,-4.85,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
Show InChI InChI=1S/C22H14O4/c23-19-17(14-8-2-1-3-9-14)20(24)22(26)18(21(19)25)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17-18H
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n/an/an/an/a 6.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092144
PNG
(2,5-Dihydroxy-3-(1H-indol-3-yl)-6-(7-methyl-1H-ind...)
Show SMILES Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c[nH]c3ccccc23)C(=O)C1=O |(.75,-7.3,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;6.05,-3.23,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;10.04,-.92,;10.22,.65,;11.72,.96,;12.47,-.4,;13.96,-.72,;14.43,-2.18,;13.39,-3.32,;11.88,-2.99,;11.43,-1.52,;8.71,-3.23,;10.04,-4,;7.38,-3.99,;7.38,-5.53,)|
Show InChI InChI=1S/C23H16N2O4/c1-11-5-4-7-13-15(10-25-19(11)13)18-22(28)20(26)17(21(27)23(18)29)14-9-24-16-8-3-2-6-12(14)16/h2-10,17-18,24-25H,1H3
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n/an/an/an/a 7.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50269391
PNG
(CHEMBL4059790)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CC6CCC5C6)c(Cl)c4)nc3N)c2cc1OC |THB:20:23:26.27:29|
Show InChI InChI=1S/C29H34ClN9O2/c1-40-25-14-20-22(15-26(25)41-2)32-16-33-27(20)39-28(31)35-29(36-39)34-19-5-6-23(21(30)13-19)37-7-9-38(10-8-37)24-12-17-3-4-18(24)11-17/h5-6,13-18,24H,3-4,7-12H2,1-2H3,(H3,31,34,35,36)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50092145
PNG
(2,5-Dihydroxy-3-naphthalen-2-yl-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(C(=O)C(=O)C(C1=O)c1ccc2ccccc2c1)c1ccccc1 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;2.06,-9.45,;.72,-8.68,;.72,-7.14,;2.06,-6.38,;3.37,-7.15,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
Show InChI InChI=1S/C22H14O4/c23-19-17(14-7-2-1-3-8-14)20(24)22(26)18(21(19)25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18H
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n/an/an/an/a 3.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)

J Med Chem 43: 3487-94 (2000)


BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair