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SMILES: CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O

InChI Key: InChIKey=UQQCNIZUHHDSLP-PVQVWWTLSA-N

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 = 50153490   
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
Corticotropin-releasing factor receptor 2


(Mus musculus)		BDBM50153490
PNG
(CHEMBL3774836)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
Show InChI InChI=1S/C175H294N50O49/c1-31-34-48-102(201-152(257)112(59-66-130(234)235)208-156(261)119(77-88(10)11)217-165(270)134(90(14)15)220-153(258)113(60-67-131(236)237)207-147(252)107(54-45-73-191-172(185)186)204-155(260)117(75-86(6)7)212-157(262)118(76-87(8)9)213-159(264)122(80-101-83-187-84-192-101)215-158(263)121(79-100-46-37-36-38-47-100)218-166(271)136(98(25)226)221-162(267)120(78-89(12)13)214-161(266)124(82-133(240)241)197-99(26)227)142(247)193-94(21)138(243)198-105(52-43-71-189-170(181)182)143(248)194-95(22)139(244)200-111(58-65-129(232)233)151(256)209-114(56-63-126(178)229)163(268)224-174(29,91(16)17)168(273)196-96(23)140(245)199-109(55-62-125(177)228)150(255)206-110-57-64-128(231)188-70-42-40-51-108(219-167(272)173(27,28)223-141(246)97(24)195-144(110)249)149(254)216-123(81-127(179)230)160(265)205-106(53-44-72-190-171(183)184)146(251)202-104(50-39-41-69-176)148(253)211-116(74-85(4)5)154(259)203-103(49-35-32-2)145(250)210-115(61-68-132(238)239)164(269)225-175(30,92(18)19)169(274)222-135(137(180)242)93(20)33-3/h36-38,46-47,83-98,102-124,134-136,226H,31-35,39-45,48-82,176H2,1-30H3,(H2,177,228)(H2,178,229)(H2,179,230)(H2,180,242)(H,187,192)(H,188,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,272)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,134-,135-,136-,174?,175?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.620n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay

J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50153490
PNG
(CHEMBL3774836)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
Show InChI InChI=1S/C175H294N50O49/c1-31-34-48-102(201-152(257)112(59-66-130(234)235)208-156(261)119(77-88(10)11)217-165(270)134(90(14)15)220-153(258)113(60-67-131(236)237)207-147(252)107(54-45-73-191-172(185)186)204-155(260)117(75-86(6)7)212-157(262)118(76-87(8)9)213-159(264)122(80-101-83-187-84-192-101)215-158(263)121(79-100-46-37-36-38-47-100)218-166(271)136(98(25)226)221-162(267)120(78-89(12)13)214-161(266)124(82-133(240)241)197-99(26)227)142(247)193-94(21)138(243)198-105(52-43-71-189-170(181)182)143(248)194-95(22)139(244)200-111(58-65-129(232)233)151(256)209-114(56-63-126(178)229)163(268)224-174(29,91(16)17)168(273)196-96(23)140(245)199-109(55-62-125(177)228)150(255)206-110-57-64-128(231)188-70-42-40-51-108(219-167(272)173(27,28)223-141(246)97(24)195-144(110)249)149(254)216-123(81-127(179)230)160(265)205-106(53-44-72-190-171(183)184)146(251)202-104(50-39-41-69-176)148(253)211-116(74-85(4)5)154(259)203-103(49-35-32-2)145(250)210-115(61-68-132(238)239)164(269)225-175(30,92(18)19)169(274)222-135(137(180)242)93(20)33-3/h36-38,46-47,83-98,102-124,134-136,226H,31-35,39-45,48-82,176H2,1-30H3,(H2,177,228)(H2,178,229)(H2,179,230)(H2,180,242)(H,187,192)(H,188,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,272)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,134-,135-,136-,174?,175?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.680n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay

J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair