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PubMed code 7689652

Compile data set for download or QSAR
Found 6 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)		BDBM50406796
PNG
(CHEMBL2115161)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(41-26(2)46)37(49)39-21-13-12-20-32(42-35(47)30-23-40-31-19-11-10-18-29(30)31)36(48)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,32-34,40,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,41,46)(H,42,47)(H,43,48)/t25-,32+,33-,34+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033612
PNG
(1H-Indole-2-carboxylic acid {5-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(40-26(2)46)37(49)39-21-13-12-20-31(42-36(48)32-23-29-18-10-11-19-30(29)41-32)35(47)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,31,33-34,41,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,40,46)(H,42,48)(H,43,47)/t25-,31?,33-,34?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033610
PNG
(1H-Indole-3-carboxylic acid {4-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C37H44N6O6/c1-24(44)33(40-25(2)45)36(48)38-20-12-19-31(41-34(46)29-22-39-30-18-11-10-17-28(29)30)35(47)42-32(21-26-13-6-4-7-14-26)37(49)43(3)23-27-15-8-5-9-16-27/h4-11,13-18,22,24,31-33,39,44H,12,19-21,23H2,1-3H3,(H,38,48)(H,40,45)(H,41,46)(H,42,47)/t24-,31?,32-,33?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033611
PNG
(CHEMBL264384 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...)
Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)18-27(37-32(44)25-19-36-26-16-10-9-15-24(25)26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,19,21,27-28,30,36,41H,17-18,20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033609
PNG
(CHEMBL306267 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...)
Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)19-27(37-32(44)26-18-24-15-9-10-16-25(24)36-26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,18,21,27-28,30,36,41H,17,19-20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1
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PubMed
n/an/a 54n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033613
PNG
(1H-Indole-2-carboxylic acid {4-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C37H44N6O6/c1-24(44)33(39-25(2)45)36(48)38-20-12-19-30(41-35(47)31-22-28-17-10-11-18-29(28)40-31)34(46)42-32(21-26-13-6-4-7-14-26)37(49)43(3)23-27-15-8-5-9-16-27/h4-11,13-18,22,24,30,32-33,40,44H,12,19-21,23H2,1-3H3,(H,38,48)(H,39,45)(H,41,47)(H,42,46)/t24-,30?,32-,33?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 125n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%