BindingDB logo
myBDB logout

BDBM50266675 CHEMBL4090347

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(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](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(N)=O

InChI Key: InChIKey=HWBOPMFEUGBHJS-OLDICVOASA-N

Data: 2 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 2 hits for monomerid = 50266675   
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))		BDBM50266675
PNG
(CHEMBL4090347)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(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](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(N)=O |r|
Show InChI InChI=1S/C158H245N49O53S/c1-11-77(6)124(154(258)188-95(41-45-120(223)224)138(242)192-101(57-83-63-174-87-32-19-18-31-85(83)87)142(246)189-97(53-75(2)3)140(244)182-89(34-21-23-48-160)135(239)193-102(59-116(165)219)131(235)176-65-117(220)175-67-119(222)207-51-26-37-112(207)153(257)202-110(72-212)152(256)198-106(68-208)127(166)231)205-146(250)99(55-81-27-14-12-15-28-81)191-144(248)103(60-121(225)226)194-137(241)93(39-43-114(163)217)180-128(232)78(7)179-132(236)90(35-24-49-172-157(167)168)181-134(238)91(36-25-50-173-158(169)170)184-150(254)109(71-211)201-145(249)105(62-123(229)230)195-139(243)96(46-52-261-10)187-136(240)94(40-44-115(164)218)186-133(237)88(33-20-22-47-159)183-149(253)108(70-210)200-141(245)98(54-76(4)5)190-143(247)104(61-122(227)228)196-151(255)111(73-213)203-156(260)126(80(9)215)206-147(251)100(56-82-29-16-13-17-30-82)197-155(259)125(79(8)214)204-118(221)66-177-130(234)92(38-42-113(162)216)185-148(252)107(69-209)199-129(233)86(161)58-84-64-171-74-178-84/h12-19,27-32,63-64,74-80,86,88-112,124-126,174,208-215H,11,20-26,33-62,65-73,159-161H2,1-10H3,(H2,162,216)(H2,163,217)(H2,164,218)(H2,165,219)(H2,166,231)(H,171,178)(H,175,220)(H,176,235)(H,177,234)(H,179,236)(H,180,232)(H,181,238)(H,182,244)(H,183,253)(H,184,254)(H,185,252)(H,186,237)(H,187,240)(H,188,258)(H,189,246)(H,190,247)(H,191,248)(H,192,242)(H,193,239)(H,194,241)(H,195,243)(H,196,255)(H,197,259)(H,198,256)(H,199,233)(H,200,245)(H,201,249)(H,202,257)(H,203,260)(H,204,221)(H,205,250)(H,206,251)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H4,167,168,172)(H4,169,170,173)/t77-,78-,79+,80+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,124-,125-,126-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 8.90n/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 60: 4293-4303 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00174
BindingDB Entry DOI: 10.7270/Q27S7R7M
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50266675
PNG
(CHEMBL4090347)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(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](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(N)=O |r|
Show InChI InChI=1S/C158H245N49O53S/c1-11-77(6)124(154(258)188-95(41-45-120(223)224)138(242)192-101(57-83-63-174-87-32-19-18-31-85(83)87)142(246)189-97(53-75(2)3)140(244)182-89(34-21-23-48-160)135(239)193-102(59-116(165)219)131(235)176-65-117(220)175-67-119(222)207-51-26-37-112(207)153(257)202-110(72-212)152(256)198-106(68-208)127(166)231)205-146(250)99(55-81-27-14-12-15-28-81)191-144(248)103(60-121(225)226)194-137(241)93(39-43-114(163)217)180-128(232)78(7)179-132(236)90(35-24-49-172-157(167)168)181-134(238)91(36-25-50-173-158(169)170)184-150(254)109(71-211)201-145(249)105(62-123(229)230)195-139(243)96(46-52-261-10)187-136(240)94(40-44-115(164)218)186-133(237)88(33-20-22-47-159)183-149(253)108(70-210)200-141(245)98(54-76(4)5)190-143(247)104(61-122(227)228)196-151(255)111(73-213)203-156(260)126(80(9)215)206-147(251)100(56-82-29-16-13-17-30-82)197-155(259)125(79(8)214)204-118(221)66-177-130(234)92(38-42-113(162)216)185-148(252)107(69-209)199-129(233)86(161)58-84-64-171-74-178-84/h12-19,27-32,63-64,74-80,86,88-112,124-126,174,208-215H,11,20-26,33-62,65-73,159-161H2,1-10H3,(H2,162,216)(H2,163,217)(H2,164,218)(H2,165,219)(H2,166,231)(H,171,178)(H,175,220)(H,176,235)(H,177,234)(H,179,236)(H,180,232)(H,181,238)(H,182,244)(H,183,253)(H,184,254)(H,185,252)(H,186,237)(H,187,240)(H,188,258)(H,189,246)(H,190,247)(H,191,248)(H,192,242)(H,193,239)(H,194,241)(H,195,243)(H,196,255)(H,197,259)(H,198,256)(H,199,233)(H,200,245)(H,201,249)(H,202,257)(H,203,260)(H,204,221)(H,205,250)(H,206,251)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H4,167,168,172)(H4,169,170,173)/t77-,78-,79+,80+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,124-,125-,126-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 60: 4293-4303 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00174
BindingDB Entry DOI: 10.7270/Q27S7R7M
More data for this
Ligand-Target Pair