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BDBM85487 Leu8-phyllolitorin

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

InChI Key: InChIKey=OXNNISAYYLBJKU-IXSLUFBNSA-N

Data: 4 KI

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 4 hits for monomerid = 85487   
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
Bombesin 4


(Frog)
BDBM85487
PNG
(Leu8-phyllolitorin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85487
PNG
(Leu8-phyllolitorin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85487
PNG
(Leu8-phyllolitorin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85487
PNG
(Leu8-phyllolitorin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair