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BDBM50287397 CGP-49823::CHEMBL290364::{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone::{(R)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone

SMILES: Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12

InChI Key: InChIKey=WQZUOBIIPDZRJP-WUFINQPMSA-N

Data: 7 IC50

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 7 hits for monomerid = 50287397   
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


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against NK1 receptor by displacement of [3H]-SP from bovine retina membranes

Bioorg Med Chem Lett 6: 3029-3034 (1996)


Article DOI: 10.1016/S0960-894X(96)00563-X
BindingDB Entry DOI: 10.7270/Q22N5283
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina

Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [125I]-Eledoisin radioligand binding to NK3 receptor from gerbil cortex

Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina

Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory potency against Neurokinin 1 NK1 receptor

Bioorg Med Chem Lett 7: 347-350 (1997)


Article DOI: 10.1016/S0960-894X(96)00623-3
BindingDB Entry DOI: 10.7270/Q2PK0G48
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the binding affinity of the compound against neurokinin NK1 receptor

Bioorg Med Chem Lett 7: 351-354 (1997)


Article DOI: 10.1016/S0960-894X(96)00624-5
BindingDB Entry DOI: 10.7270/Q2JS9QFF
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Bos taurus)		BDBM50287397
PNG
(CGP-49823 | CHEMBL290364 | {(2R,4S)-2-Benzyl-4-[(q...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [125I]-NKA radioligand binding to NK2 receptor from bovine bladder

Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair