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BDBM50217526 CHEMBL366972

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(O)(CC2)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JROZJKNRDPMAJA-HKBQPEDESA-N

Data: 2 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217526   
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)
BDBM50217526
PNG
(CHEMBL366972)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(O)(CC2)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H35Cl2N3O6/c1-39-26-16-21(17-27(40-2)28(26)41-3)29(37)36-19-31(42-20-36,23-4-5-24(32)25(33)18-23)10-15-35-13-8-30(38,9-14-35)22-6-11-34-12-7-22/h4-7,11-12,16-18,38H,8-10,13-15,19-20H2,1-3H3/t31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung


Bioorg Med Chem Lett 9: 875-80 (1999)


Article DOI: 10.1016/s0960-894x(99)00093-1
BindingDB Entry DOI: 10.7270/Q2PN97TF
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50217526
PNG
(CHEMBL366972)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(O)(CC2)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H35Cl2N3O6/c1-39-26-16-21(17-27(40-2)28(26)41-3)29(37)36-19-31(42-20-36,23-4-5-24(32)25(33)18-23)10-15-35-13-8-30(38,9-14-35)22-6-11-34-12-7-22/h4-7,11-12,16-18,38H,8-10,13-15,19-20H2,1-3H3/t31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum


Bioorg Med Chem Lett 9: 875-80 (1999)


Article DOI: 10.1016/s0960-894x(99)00093-1
BindingDB Entry DOI: 10.7270/Q2PN97TF
More data for this
Ligand-Target Pair