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Compile Data Set for Download or QSAR

Found 380 hits Enz. Inhib. hit(s) with Target = 'neuropeptides B/W receptor 1'   
Target
(Institution)
LigandTarget
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
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362414
PNG
(CHEMBL1940537)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H38N4O3S/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-41-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)40-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362412
PNG
(CHEMBL1940539)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362409
PNG
(CHEMBL1940543)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362412
PNG
(CHEMBL1940539)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362410
PNG
(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362415
PNG
(CHEMBL1940536)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362414
PNG
(CHEMBL1940537)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H38N4O3S/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-41-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)40-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362409
PNG
(CHEMBL1940543)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362411
PNG
(CHEMBL1940541)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C29H34F3N5O2S2/c1-39-22-6-3-20(4-7-22)28(10-2-11-28)33-21-5-8-23(24(17-21)19-9-16-40-18-19)25(38)36-12-14-37(15-13-36)27-35-34-26(41-27)29(30,31)32/h3-4,6-7,9,16,18,21,23-24,33H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425599
PNG
(CHEMBL2314291)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C23H19ClN2O3/c1-2-28-18-10-12-19(13-11-18)29-22-21(24)14-25-26(23(22)27)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-14H,2,15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362415
PNG
(CHEMBL1940536)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425598
PNG
(CHEMBL1972527)
Show SMILES COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1
Show InChI InChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
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n/an/a 120n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425597
PNG
(CHEMBL2314320)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C22H17ClN2O3/c1-27-17-9-11-18(12-10-17)28-21-20(23)13-24-25(22(21)26)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-13H,14H2,1H3
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n/an/a 140n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50401576
PNG
(CHEMBL2207117)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc4ccccc4c3)c2=O)cc1
Show InChI InChI=1S/C21H15ClN2O3/c1-26-17-8-10-18(11-9-17)27-20-19(22)13-23-24(21(20)25)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3
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n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362410
PNG
(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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n/an/a 197n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50401572
PNG
(CHEMBL2207121)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-4-25-16-5-7-17(8-6-16)26-19-18(21)12-22-23(20(19)24)15-10-13(2)9-14(3)11-15/h5-12H,4H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425596
PNG
(CHEMBL1981304)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-n3cccn3)c2=O)cc1
Show InChI InChI=1S/C21H17ClN4O3/c1-28-16-7-9-17(10-8-16)29-20-18(22)13-24-26(21(20)27)14-15-5-2-3-6-19(15)25-12-4-11-23-25/h2-13H,14H2,1H3
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425595
PNG
(CHEMBL2314323)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3c(C)ccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C23H19ClN2O3/c1-15-7-8-16-5-3-4-6-19(16)20(15)14-26-23(27)22(21(24)13-25-26)29-18-11-9-17(28-2)10-12-18/h3-13H,14H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50401577
PNG
(CHEMBL2207531)
Show SMILES CCc1cccc(c1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C19H17ClN2O3/c1-3-13-5-4-6-14(11-13)22-19(23)18(17(20)12-21-22)25-16-9-7-15(24-2)8-10-16/h4-12H,3H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425593
PNG
(CHEMBL2314301)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1
Show InChI InChI=1S/C25H19ClN2O2/c1-2-16-11-13-17(14-12-16)30-24-22(26)15-27-28(25(24)29)23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,23H,2H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425594
PNG
(CHEMBL1987422)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3c(C)cccc3C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13-5-4-6-14(2)17(13)12-23-20(24)19(18(21)11-22-23)26-16-9-7-15(25-3)8-10-16/h4-11H,12H2,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425592
PNG
(CHEMBL2314293)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C23H19ClN2O2/c1-2-16-10-12-19(13-11-16)28-22-21(24)14-25-26(23(22)27)15-18-8-5-7-17-6-3-4-9-20(17)18/h3-14H,2,15H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425591
PNG
(CHEMBL2314300)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1
Show InChI InChI=1S/C25H19ClN2O3/c1-2-30-16-11-13-17(14-12-16)31-24-22(26)15-27-28(25(24)29)23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,23H,2H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425590
PNG
(CHEMBL1964671)
Show SMILES CCc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-3-14-6-4-5-7-15(14)13-23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-2)9-11-17/h4-12H,3,13H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75938
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-4-6-15(7-5-14)23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-3)9-11-17/h4-13H,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75938
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-4-6-15(7-5-14)23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-3)9-11-17/h4-13H,1-3H3
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n/an/a 270n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
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n/an/a 272n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75900
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3
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n/an/a 280n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425589
PNG
(CHEMBL1969065)
Show SMILES COc1ccc(Oc2c(Cl)cnn(CC(=O)N(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C25H20ClN3O4/c1-32-20-12-14-21(15-13-20)33-24-22(26)16-27-28(25(24)31)17-23(30)29(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,17H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75900
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
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n/an/a 281n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75946
PNG
(2-[3,5-bis(chloranyl)phenyl]-5-chloranyl-4-(4-meth...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(Cl)cc(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C17H11Cl3N2O3/c1-24-13-2-4-14(5-3-13)25-16-15(20)9-21-22(17(16)23)12-7-10(18)6-11(19)8-12/h2-9H,1H3
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n/an/a 287n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425588
PNG
(CHEMBL1965488)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1OC
Show InChI InChI=1S/C23H19ClN2O4/c1-28-20-11-10-17(12-21(20)29-2)30-22-19(24)13-25-26(23(22)27)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-13H,14H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75918
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-methyl-4-pro...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-13(2)18-10-5-15(11-14(18)3)24-21(25)20(19(22)12-23-24)27-17-8-6-16(26-4)7-9-17/h5-13H,1-4H3
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n/an/a 299n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75918
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-methyl-4-pro...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-13(2)18-10-5-15(11-14(18)3)24-21(25)20(19(22)12-23-24)27-17-8-6-16(26-4)7-9-17/h5-13H,1-4H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425587
PNG
(CHEMBL2314318)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3c4ccccc4cc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C26H19ClN2O3/c1-31-19-10-12-20(13-11-19)32-25-24(27)15-28-29(26(25)30)16-23-21-8-4-2-6-17(21)14-18-7-3-5-9-22(18)23/h2-15H,16H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362416
PNG
(CHEMBL1940354)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C29H35ClN4O2S/c1-20(21-3-7-25(36-2)8-4-21)32-24-6-9-26(27(17-24)22-11-16-37-19-22)29(35)34-14-12-33(13-15-34)28-10-5-23(30)18-31-28/h3-5,7-8,10-11,16,18-20,24,26-27,32H,6,9,12-15,17H2,1-2H3/t20-,24-,26+,27-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50362411
PNG
(CHEMBL1940541)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C29H34F3N5O2S2/c1-39-22-6-3-20(4-7-22)28(10-2-11-28)33-21-5-8-23(24(17-21)19-9-16-40-18-19)25(38)36-12-14-37(15-13-36)27-35-34-26(41-27)29(30,31)32/h3-4,6-7,9,16,18,21,23-24,33H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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n/an/a 342n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425586
PNG
(CHEMBL2314324)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C23H19ClN2O4/c1-28-16-8-10-17(11-9-16)30-22-20(24)13-25-26(23(22)27)14-19-18-6-4-3-5-15(18)7-12-21(19)29-2/h3-13H,14H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75923
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-naphthalen-1-yl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C21H15ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h2-13H,1H3
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PCBioAssay
n/an/a 359n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425585
PNG
(CHEMBL2314322)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccc(F)c4ccccc34)c2=O)cc1
Show InChI InChI=1S/C22H16ClFN2O3/c1-28-15-7-9-16(10-8-15)29-21-19(23)12-25-26(22(21)27)13-14-6-11-20(24)18-5-3-2-4-17(14)18/h2-12H,13H2,1H3
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n/an/a 360n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM75923
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-naphthalen-1-yl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C21H15ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h2-13H,1H3
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n/an/a 360n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425584
PNG
(CHEMBL2005648)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1F
Show InChI InChI=1S/C22H16ClFN2O3/c1-28-20-10-9-16(11-19(20)24)29-21-18(23)12-25-26(22(21)27)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3
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n/an/a 360n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425583
PNG
(CHEMBL2314306)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-13-5-3-4-6-14(13)12-22-19(23)18(17(20)11-21-22)25-16-9-7-15(24-2)8-10-16/h3-11H,12H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425582
PNG
(CHEMBL2314308)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C19H14ClF3N2O3/c1-27-13-6-8-14(9-7-13)28-17-16(20)10-24-25(18(17)26)11-12-4-2-3-5-15(12)19(21,22)23/h2-10H,11H2,1H3
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n/an/a 370n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50425581
PNG
(CHEMBL2314326)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1
Show InChI InChI=1S/C23H19ClN2O3/c1-15-7-8-16(20-6-4-3-5-19(15)20)14-26-23(27)22(21(24)13-25-26)29-18-11-9-17(28-2)10-12-18/h3-13H,14H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Citation and Details
More data for this
Ligand-Target Pair
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