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PubMed code 2433445

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-P receptor


(GUINEA PIG)		BDBM50452295
PNG
(CHEMBL2371799)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against neuronal receptor in guinea pig ileum

J Med Chem 29: 1284-8 (1987)


BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50452295
PNG
(CHEMBL2371799)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 2.20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against muscular receptor in guinea pig ileum

J Med Chem 29: 1284-8 (1987)


BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50016358
PNG
(4-Amino-4-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(35(50)41-26(32(38)47)16-17-52-3)40-30(44)21-39-34(49)28(19-23-10-6-4-7-11-23)43-36(51)29(20-24-12-8-5-9-13-24)42-33(48)25(37)14-15-31(45)46/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,47)(H,39,49)(H,40,44)(H,41,50)(H,42,48)(H,43,51)(H,45,46)/t25-,26-,27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against Neuronal receptor in guinea pig ileum

J Med Chem 29: 1284-8 (1987)


BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50016358
PNG
(4-Amino-4-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(35(50)41-26(32(38)47)16-17-52-3)40-30(44)21-39-34(49)28(19-23-10-6-4-7-11-23)43-36(51)29(20-24-12-8-5-9-13-24)42-33(48)25(37)14-15-31(45)46/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,47)(H,39,49)(H,40,44)(H,41,50)(H,42,48)(H,43,51)(H,45,46)/t25-,26-,27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 1.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against Muscular receptor in guinea pig ileum

J Med Chem 29: 1284-8 (1987)


BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%