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BDBM50275564 CHEMBL4128125

SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(O)=O

InChI Key: InChIKey=RSGXNBNOELOPOX-MTGHLJTASA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50275564   
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
Glucagon receptor


(Homo sapiens (Human))		BDBM50275564
PNG
(CHEMBL4128125)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C204H320N56O65/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-32-62-155(275)228-129(201(322)323)66-71-154(274)217-75-40-37-55-122(230-177(298)127(65-70-152(210)272)236-173(294)120(53-35-38-73-205)233-189(310)141(100-263)249-181(302)131(83-107(5)6)239-183(304)137(90-162(284)285)245-191(312)144(103-266)252-197(318)166(112(11)269)256-187(308)133(85-114-49-30-27-31-50-114)246-196(317)165(111(10)268)254-158(278)96-223-169(290)125(63-68-150(208)270)235-188(309)140(99-262)247-168(289)118(207)87-116-93-216-105-225-116)176(297)243-138(91-163(286)287)185(306)250-142(101-264)190(311)234-124(57-42-77-219-204(214)215)174(295)231-123(56-41-76-218-203(212)213)172(293)227-109(8)167(288)229-126(64-69-151(209)271)178(299)244-136(89-161(282)283)184(305)240-132(84-113-47-28-26-29-48-113)186(307)255-164(108(7)13-2)195(316)237-128(67-72-160(280)281)179(300)241-134(86-115-92-220-119-52-34-33-51-117(115)119)182(303)238-130(82-106(3)4)180(301)232-121(54-36-39-74-206)175(296)242-135(88-153(211)273)170(291)222-94-156(276)221-97-159(279)257-78-43-58-146(257)193(314)251-143(102-265)192(313)248-139(98-261)171(292)224-95-157(277)226-110(9)198(319)259-80-45-60-148(259)200(321)260-81-46-61-149(260)199(320)258-79-44-59-147(258)194(315)253-145(104-267)202(324)325/h26-31,33-34,47-52,92-93,105-112,118,120-149,164-166,220,261-269H,12-25,32,35-46,53-91,94-104,205-207H2,1-11H3,(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H,216,225)(H,217,274)(H,221,276)(H,222,291)(H,223,290)(H,224,292)(H,226,277)(H,227,293)(H,228,275)(H,229,288)(H,230,298)(H,231,295)(H,232,301)(H,233,310)(H,234,311)(H,235,309)(H,236,294)(H,237,316)(H,238,303)(H,239,304)(H,240,305)(H,241,300)(H,242,296)(H,243,297)(H,244,299)(H,245,312)(H,246,317)(H,247,289)(H,248,313)(H,249,302)(H,250,306)(H,251,314)(H,252,318)(H,253,315)(H,254,278)(H,255,307)(H,256,308)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,322,323)(H,324,325)(H4,212,213,218)(H4,214,215,219)/t108-,109-,110-,111+,112+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,164-,165-,166-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50275564
PNG
(CHEMBL4128125)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C204H320N56O65/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-32-62-155(275)228-129(201(322)323)66-71-154(274)217-75-40-37-55-122(230-177(298)127(65-70-152(210)272)236-173(294)120(53-35-38-73-205)233-189(310)141(100-263)249-181(302)131(83-107(5)6)239-183(304)137(90-162(284)285)245-191(312)144(103-266)252-197(318)166(112(11)269)256-187(308)133(85-114-49-30-27-31-50-114)246-196(317)165(111(10)268)254-158(278)96-223-169(290)125(63-68-150(208)270)235-188(309)140(99-262)247-168(289)118(207)87-116-93-216-105-225-116)176(297)243-138(91-163(286)287)185(306)250-142(101-264)190(311)234-124(57-42-77-219-204(214)215)174(295)231-123(56-41-76-218-203(212)213)172(293)227-109(8)167(288)229-126(64-69-151(209)271)178(299)244-136(89-161(282)283)184(305)240-132(84-113-47-28-26-29-48-113)186(307)255-164(108(7)13-2)195(316)237-128(67-72-160(280)281)179(300)241-134(86-115-92-220-119-52-34-33-51-117(115)119)182(303)238-130(82-106(3)4)180(301)232-121(54-36-39-74-206)175(296)242-135(88-153(211)273)170(291)222-94-156(276)221-97-159(279)257-78-43-58-146(257)193(314)251-143(102-265)192(313)248-139(98-261)171(292)224-95-157(277)226-110(9)198(319)259-80-45-60-148(259)200(321)260-81-46-61-149(260)199(320)258-79-44-59-147(258)194(315)253-145(104-267)202(324)325/h26-31,33-34,47-52,92-93,105-112,118,120-149,164-166,220,261-269H,12-25,32,35-46,53-91,94-104,205-207H2,1-11H3,(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H,216,225)(H,217,274)(H,221,276)(H,222,291)(H,223,290)(H,224,292)(H,226,277)(H,227,293)(H,228,275)(H,229,288)(H,230,298)(H,231,295)(H,232,301)(H,233,310)(H,234,311)(H,235,309)(H,236,294)(H,237,316)(H,238,303)(H,239,304)(H,240,305)(H,241,300)(H,242,296)(H,243,297)(H,244,299)(H,245,312)(H,246,317)(H,247,289)(H,248,313)(H,249,302)(H,250,306)(H,251,314)(H,252,318)(H,253,315)(H,254,278)(H,255,307)(H,256,308)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,322,323)(H,324,325)(H4,212,213,218)(H4,214,215,219)/t108-,109-,110-,111+,112+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,164-,165-,166-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.90n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))		BDBM50275564
PNG
(CHEMBL4128125)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C204H320N56O65/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-32-62-155(275)228-129(201(322)323)66-71-154(274)217-75-40-37-55-122(230-177(298)127(65-70-152(210)272)236-173(294)120(53-35-38-73-205)233-189(310)141(100-263)249-181(302)131(83-107(5)6)239-183(304)137(90-162(284)285)245-191(312)144(103-266)252-197(318)166(112(11)269)256-187(308)133(85-114-49-30-27-31-50-114)246-196(317)165(111(10)268)254-158(278)96-223-169(290)125(63-68-150(208)270)235-188(309)140(99-262)247-168(289)118(207)87-116-93-216-105-225-116)176(297)243-138(91-163(286)287)185(306)250-142(101-264)190(311)234-124(57-42-77-219-204(214)215)174(295)231-123(56-41-76-218-203(212)213)172(293)227-109(8)167(288)229-126(64-69-151(209)271)178(299)244-136(89-161(282)283)184(305)240-132(84-113-47-28-26-29-48-113)186(307)255-164(108(7)13-2)195(316)237-128(67-72-160(280)281)179(300)241-134(86-115-92-220-119-52-34-33-51-117(115)119)182(303)238-130(82-106(3)4)180(301)232-121(54-36-39-74-206)175(296)242-135(88-153(211)273)170(291)222-94-156(276)221-97-159(279)257-78-43-58-146(257)193(314)251-143(102-265)192(313)248-139(98-261)171(292)224-95-157(277)226-110(9)198(319)259-80-45-60-148(259)200(321)260-81-46-61-149(260)199(320)258-79-44-59-147(258)194(315)253-145(104-267)202(324)325/h26-31,33-34,47-52,92-93,105-112,118,120-149,164-166,220,261-269H,12-25,32,35-46,53-91,94-104,205-207H2,1-11H3,(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H,216,225)(H,217,274)(H,221,276)(H,222,291)(H,223,290)(H,224,292)(H,226,277)(H,227,293)(H,228,275)(H,229,288)(H,230,298)(H,231,295)(H,232,301)(H,233,310)(H,234,311)(H,235,309)(H,236,294)(H,237,316)(H,238,303)(H,239,304)(H,240,305)(H,241,300)(H,242,296)(H,243,297)(H,244,299)(H,245,312)(H,246,317)(H,247,289)(H,248,313)(H,249,302)(H,250,306)(H,251,314)(H,252,318)(H,253,315)(H,254,278)(H,255,307)(H,256,308)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,322,323)(H,324,325)(H4,212,213,218)(H4,214,215,219)/t108-,109-,110-,111+,112+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,164-,165-,166-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.21E+3n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair