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BDBM50030180 (R)-4-Hydroxy-1-(1H-indazole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide::CHEMBL66193

SMILES: CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1[nH]nc2ccccc12

InChI Key: InChIKey=GESFNPXBWQVSPL-NQXVELOOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030180   
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
Neurokinin 1 receptor


(GUINEA PIG)		BDBM50030180
PNG
((R)-4-Hydroxy-1-(1H-indazole-3-carbonyl)-pyrrolidi...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1[nH]nc2ccccc12
Show InChI InChI=1S/C30H31N5O4/c1-34(18-21-12-6-3-7-13-21)29(38)25(16-20-10-4-2-5-11-20)31-28(37)26-17-22(36)19-35(26)30(39)27-23-14-8-9-15-24(23)32-33-27/h2-15,22,25-26,36H,16-19H2,1H3,(H,31,37)(H,32,33)/t22-,25-,26?/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane

J Med Chem 37: 2090-9 (1994)


BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair