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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'lai' and Initial = 'sj'   
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
SSTR4


(RAT)
BDBM50254239
PNG
((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:42.43,28.31,13.12,4.4,66.67,86.87,106.108,115.116,194.201,172.177,149.152,134.136,124.126,120.224,wD:47.48,34.39,20.25,8.8,54.55,62.64,77.78,97.98,202.209,183.189,158.161,145.218,211.220,130.221,214.223,(-22.23,-7.83,;-23.64,-7.23,;-24.87,-8.16,;-26.29,-7.56,;-27.51,-8.49,;-28.93,-7.9,;-29.12,-6.37,;-27.9,-5.44,;-30.54,-5.78,;-31.77,-6.71,;-30.73,-4.25,;-32.15,-3.66,;-33.4,-4.59,;-32.34,-2.13,;-31.06,-1.26,;-31.8,.25,;-33.45,.03,;-33.78,-1.63,;-35.09,-2.39,;-35.19,-3.93,;-36.39,-1.55,;-37.77,-2.23,;-37.83,-3.76,;-39.2,-4.44,;-36.56,-4.61,;-36.28,-.01,;-37.58,.85,;-38.94,.16,;-37.46,2.37,;-36.09,3.05,;-34.83,2.21,;-38.75,3.22,;-38.65,4.76,;-37.27,5.45,;-39.93,5.6,;-41.31,4.92,;-41.42,3.4,;-40.12,2.54,;-42.8,2.71,;-39.84,7.14,;-41.12,8,;-42.5,7.31,;-41.02,9.53,;-39.65,10.21,;-42.31,10.39,;-42.21,11.93,;-40.83,12.61,;-43.49,12.76,;-43.38,14.3,;-44.87,12.08,;-44.96,10.56,;-27.32,-10.02,;-28.56,-10.95,;-25.9,-10.61,;-25.71,-12.14,;-26.93,-13.07,;-24.29,-12.75,;-23.09,-11.81,;-24.1,-14.26,;-25.25,-15.51,;-24.43,-16.97,;-22.76,-16.63,;-22.84,-15.08,;-21.53,-14.32,;-21.53,-12.78,;-20.18,-15.08,;-18.84,-14.32,;-18.84,-12.78,;-17.53,-12.02,;-17.53,-10.47,;-16.2,-9.71,;-16.2,-8.17,;-17.52,-7.41,;-14.86,-7.41,;-17.53,-15.08,;-17.53,-16.63,;-16.18,-14.32,;-14.85,-15.09,;-14.85,-16.63,;-13.54,-17.39,;-13.54,-18.94,;-14.87,-19.72,;-12.18,-19.71,;-13.54,-14.32,;-13.54,-12.78,;-12.19,-15.09,;-10.86,-14.33,;-10.86,-12.79,;-9.51,-12.02,;-9.51,-10.48,;-8.18,-9.72,;-8.18,-8.18,;-9.52,-7.42,;-6.84,-7.41,;-9.51,-15.11,;-9.51,-16.63,;-8.2,-14.33,;-6.85,-15.11,;-6.85,-16.64,;-5.52,-17.42,;-5.52,-18.94,;-4.2,-19.72,;-4.2,-21.27,;-5.52,-14.33,;-5.52,-12.79,;-4.19,-15.11,;-2.85,-14.33,;-2.85,-12.81,;-1.53,-15.11,;-1.53,-16.64,;-.2,-14.34,;1.14,-15.12,;2.46,-14.34,;2.46,-12.82,;3.81,-15.12,;5.13,-14.34,;5.14,-3.92,;6.49,-3.13,;50.46,-3.19,;50.41,-14.4,;49.07,-15.18,;47.74,-14.4,;46.4,-15.18,;46.4,-16.7,;45.07,-14.39,;45.07,-12.87,;46.4,-12.09,;43.75,-15.17,;42.41,-14.39,;42.41,-12.87,;41.08,-15.17,;39.75,-14.39,;38.42,-15.15,;38.42,-16.7,;37.09,-14.39,;37.09,-12.85,;38.42,-12.08,;39.76,-12.87,;41.08,-12.09,;41.09,-10.55,;39.76,-9.78,;38.42,-10.54,;35.75,-15.15,;34.42,-14.38,;34.42,-12.84,;33.1,-15.15,;31.76,-14.38,;30.44,-15.14,;30.44,-16.69,;29.09,-14.38,;29.09,-12.84,;30.44,-12.08,;30.44,-10.54,;31.76,-9.77,;31.76,-8.23,;27.77,-15.14,;26.44,-14.38,;26.44,-12.84,;25.1,-15.14,;25.1,-16.68,;26.44,-17.45,;27.84,-16.82,;28.87,-17.98,;28.09,-19.3,;28.57,-20.76,;27.53,-21.91,;26.03,-21.59,;25.57,-20.12,;26.59,-18.98,;23.78,-14.38,;22.44,-15.14,;22.44,-16.68,;21.11,-14.37,;21.11,-12.83,;22.44,-12.07,;23.78,-12.83,;25.1,-12.07,;25.1,-10.53,;23.78,-9.77,;22.44,-10.53,;19.79,-15.13,;18.44,-14.37,;18.44,-12.83,;17.12,-15.13,;17.12,-16.68,;18.44,-17.44,;19.76,-16.68,;21.1,-17.45,;21.09,-18.99,;19.75,-19.75,;18.44,-18.98,;15.78,-14.37,;14.45,-15.13,;14.45,-16.67,;13.11,-14.37,;13.11,-12.83,;14.45,-12.04,;15.78,-12.83,;14.45,-10.52,;11.79,-15.13,;10.46,-14.36,;10.46,-12.82,;9.12,-15.12,;9.12,-16.67,;10.46,-17.43,;10.46,-18.98,;11.78,-19.74,;11.78,-21.28,;7.79,-14.36,;6.47,-15.12,;6.47,-16.67,;33.1,-16.69,;31.76,-17.46,;34.42,-17.45,;41.08,-16.7,;39.75,-17.48,;42.41,-17.48,;49.07,-16.71,;47.74,-17.49,;50.41,-17.49,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73+,74+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 42: 939-46 (1992)


BindingDB Entry DOI: 10.7270/Q2N0150Z
More data for this
Ligand-Target Pair
SSTR4


(RAT)
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 42: 939-46 (1992)


BindingDB Entry DOI: 10.7270/Q2N0150Z
More data for this
Ligand-Target Pair
SSTR4


(RAT)
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1
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2.58n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 42: 939-46 (1992)


BindingDB Entry DOI: 10.7270/Q2N0150Z
More data for this
Ligand-Target Pair
SSTR4


(RAT)
BDBM81766
PNG
(CAS_3086456 | MK 678 | NSC_3086456)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)N(C)C(=O)C(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)
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7.31n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 42: 939-46 (1992)


BindingDB Entry DOI: 10.7270/Q2N0150Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362985
PNG
(CHEMBL1945502)
Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C
Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)
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n/an/a 1n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173461
PNG
(4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173454
PNG
(4-(1-Benzooxazol-5-ylmethyl-piperidin-4-ylamino)-6...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5ocnc5c4)CC3)c2c1
Show InChI InChI=1S/C22H20ClN3O3/c23-15-2-4-20-17(10-15)18(11-22(27)29-20)25-16-5-7-26(8-6-16)12-14-1-3-21-19(9-14)24-13-28-21/h1-4,9-11,13,16,25H,5-8,12H2
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173465
PNG
(6-Methoxy-4-[1-(3-phenyl-allyl)-piperidin-4-ylamin...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(C\C=C\c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C24H26N2O3/c1-28-20-9-10-23-21(16-20)22(17-24(27)29-23)25-19-11-14-26(15-12-19)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,19,25H,11-15H2,1H3/b8-5+
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362988
PNG
(CHEMBL1945500)
Show SMILES CN(C)CCCc1cc(Cl)cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)7-3-4-14-8-17(25)11-18(9-14)27-23-26-13-15-10-21(31)28-20-12-16(24)5-6-19(20)22(15)29-23/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,28,31)(H,26,27,29)
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n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362985
PNG
(CHEMBL1945502)
Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C
Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)
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n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173452
PNG
(4-(1-Benzo[b]thiophen-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5sccc5c4)CC3)c2c1
Show InChI InChI=1S/C23H21ClN2O2S/c24-17-2-3-21-19(12-17)20(13-23(27)28-21)25-18-5-8-26(9-6-18)14-15-1-4-22-16(11-15)7-10-29-22/h1-4,7,10-13,18,25H,5-6,8-9,14H2
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173459
PNG
(6-Chloro-4-[1-(1H-indol-5-ylmethyl)-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5[nH]ccc5c4)CC3)c2c1
Show InChI InChI=1S/C23H22ClN3O2/c24-17-2-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-3-20-16(11-15)5-8-25-20/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362986
PNG
(CHEMBL1945501)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F
Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29)
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n/an/a 7n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362984
PNG
(CHEMBL1945801)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32)
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n/an/a 9n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173464
PNG
(6-Chloro-4-[1-(3-phenyl-allyl)-piperidin-4-ylamino...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(C\C=C\c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C23H23ClN2O2/c24-18-8-9-22-20(15-18)21(16-23(27)28-22)25-19-10-13-26(14-11-19)12-4-7-17-5-2-1-3-6-17/h1-9,15-16,19,25H,10-14H2/b7-4+
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362981
PNG
(CHEMBL1945171)
Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173460
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C23H24N2O5/c1-27-17-3-5-20-18(11-17)19(12-23(26)30-20)24-16-6-8-25(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21/h2-5,10-12,16,24H,6-9,13-14H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50362976
PNG
(CHEMBL1945803)
Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362976
PNG
(CHEMBL1945803)
Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362981
PNG
(CHEMBL1945171)
Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 18n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173453
PNG
(6-Chloro-4-[1-(2,2-difluoro-benzo[1,3]dioxol-5-ylm...)
Show SMILES FC1(F)Oc2ccc(CN3CCC(CC3)Nc3cc(=O)oc4ccc(Cl)cc34)cc2O1
Show InChI InChI=1S/C22H19ClF2N2O4/c23-14-2-4-18-16(10-14)17(11-21(28)29-18)26-15-5-7-27(8-6-15)12-13-1-3-19-20(9-13)31-22(24,25)30-19/h1-4,9-11,15,26H,5-8,12H2
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 19n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362976
PNG
(CHEMBL1945803)
Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362986
PNG
(CHEMBL1945501)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F
Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29)
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n/an/a 21n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173458
PNG
(6-Chloro-4-(1-naphthalen-2-ylmethyl-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1
Show InChI InChI=1S/C25H23ClN2O2/c26-20-7-8-24-22(14-20)23(15-25(29)30-24)27-21-9-11-28(12-10-21)16-17-5-6-18-3-1-2-4-19(18)13-17/h1-8,13-15,21,27H,9-12,16H2
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362986
PNG
(CHEMBL1945501)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F
Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29)
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n/an/a 23n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173456
PNG
(6-Chloro-4-[1-(1H-indol-6-ylmethyl)-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5cc[nH]c5c4)CC3)c2c1
Show InChI InChI=1S/C23H22ClN3O2/c24-17-3-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-2-16-5-8-25-20(16)11-15/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362976
PNG
(CHEMBL1945803)
Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 27n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362985
PNG
(CHEMBL1945502)
Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C
Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)
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n/an/a 27n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173462
PNG
(6-Chloro-4-[1-(2,3-dihydro-benzofuran-5-ylmethyl)-...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCCc5c4)CC3)c2c1
Show InChI InChI=1S/C23H23ClN2O3/c24-17-2-4-22-19(12-17)20(13-23(27)29-22)25-18-5-8-26(9-6-18)14-15-1-3-21-16(11-15)7-10-28-21/h1-4,11-13,18,25H,5-10,14H2
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n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173461
PNG
(4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173456
PNG
(6-Chloro-4-[1-(1H-indol-6-ylmethyl)-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5cc[nH]c5c4)CC3)c2c1
Show InChI InChI=1S/C23H22ClN3O2/c24-17-3-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-2-16-5-8-25-20(16)11-15/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 28n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362976
PNG
(CHEMBL1945803)
Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 31n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173462
PNG
(6-Chloro-4-[1-(2,3-dihydro-benzofuran-5-ylmethyl)-...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCCc5c4)CC3)c2c1
Show InChI InChI=1S/C23H23ClN2O3/c24-17-2-4-22-19(12-17)20(13-23(27)29-22)25-18-5-8-26(9-6-18)14-15-1-3-21-16(11-15)7-10-28-21/h1-4,11-13,18,25H,5-10,14H2
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173465
PNG
(6-Methoxy-4-[1-(3-phenyl-allyl)-piperidin-4-ylamin...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(C\C=C\c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C24H26N2O3/c1-28-20-9-10-23-21(16-20)22(17-24(27)29-23)25-19-11-14-26(15-12-19)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,19,25H,11-15H2,1H3/b8-5+
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362983
PNG
(CHEMBL1945804)
Show SMILES CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 49n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362981
PNG
(CHEMBL1945171)
Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 49n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362984
PNG
(CHEMBL1945801)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32)
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n/an/a 51n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362979
PNG
(CHEMBL1945173)
Show SMILES COc1ccc(CCCN(C)C)cc1Nc1ncc2CC(=S)Nc3cc(Cl)ccc3-c2n1
Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-6-9-21(31-3)20(11-15)28-24-26-14-16-12-22(32)27-19-13-17(25)7-8-18(19)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,32)(H,26,28,29)
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n/an/a 54n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
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n/an/a 56n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173455
PNG
(6-Chloro-4-[1-(1-methyl-1H-indol-6-ylmethyl)-piper...)
Show SMILES Cn1ccc2ccc(CN3CCC(CC3)Nc3cc(=O)oc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C24H24ClN3O2/c1-27-9-6-17-3-2-16(12-22(17)27)15-28-10-7-19(8-11-28)26-21-14-24(29)30-23-5-4-18(25)13-20(21)23/h2-6,9,12-14,19,26H,7-8,10-11,15H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173459
PNG
(6-Chloro-4-[1-(1H-indol-5-ylmethyl)-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5[nH]ccc5c4)CC3)c2c1
Show InChI InChI=1S/C23H22ClN3O2/c24-17-2-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-3-20-16(11-15)5-8-25-20/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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n/an/a 63n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362982
PNG
(CHEMBL1945170)
Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28)
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n/an/a 63n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362983
PNG
(CHEMBL1945804)
Show SMILES CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 64n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362984
PNG
(CHEMBL1945801)
Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
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n/an/a 73n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
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