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Compile Data Set for Download or QSAR

Found 834 hits from Central Pharmaceutical Research Institute   
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
Nociceptin receptor


(Homo sapiens (human))
BDBM50094648
PNG
(CHEMBL139776 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H20F3N3O2/c1-15-12-22(29)21-13-18(8-11-23(21)30-15)31-24(32)20-5-3-2-4-16(20)14-33-19-9-6-17(7-10-19)25(26,27)28/h2-13H,14H2,1H3,(H2,29,30)(H,31,32)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094640
PNG
(CHEMBL140640 | N-(4-Amino-2-propyl-quinolin-6-yl)-...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H24ClN3O2/c1-2-5-19-15-24(28)23-14-20(10-13-25(23)29-19)30-26(31)22-7-4-3-6-17(22)16-32-21-11-8-18(27)9-12-21/h3-4,6-15H,2,5,16H2,1H3,(H2,28,29)(H,30,31)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094650
PNG
(CHEMBL434060 | N-(4-Amino-2-ethyl-quinolin-6-yl)-2...)
Show SMILES CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H22ClN3O2/c1-2-18-14-23(27)22-13-19(9-12-24(22)28-18)29-25(30)21-6-4-3-5-16(21)15-31-20-10-7-17(26)8-11-20/h3-14H,2,15H2,1H3,(H2,27,28)(H,29,30)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139906
PNG
(CHEMBL414991 | DPhe-His-Leu-Leu-Arg-Glu-Val-Leu-Gl...)
Show InChI InChI=1S/C164H275N49O41/c1-24-28-43-100(122(215)80-183-101(57-62-128(222)223)139(232)213-132(90(18)27-4)161(254)212-131(133(170)226)89(17)26-3)190-153(246)115(70-84(7)8)206-146(239)103(45-33-35-64-165)195-144(237)107(49-39-67-181-163(173)174)199-159(252)121(77-125(169)218)209-147(240)104-46-34-36-65-179-126(219)61-56-112(142(235)188-95(23)137(230)203-119(157(250)196-104)75-97-78-177-81-184-97)202-148(241)110(54-59-123(167)216)192-136(229)94(22)189-152(245)114(69-83(5)6)205-150(243)111(55-60-124(168)217)201-149(242)113(58-63-129(224)225)193-135(228)93(21)187-141(234)106(48-38-66-180-162(171)172)191-134(227)92(20)186-140(233)102(44-29-25-2)194-143(236)105(47-37-51-127(220)221)197-155(248)118(73-87(13)14)210-160(253)130(88(15)16)211-151(244)109(53-52-91(19)214)200-145(238)108(50-40-68-182-164(175)176)198-154(247)116(71-85(9)10)207-156(249)117(72-86(11)12)208-158(251)120(76-98-79-178-82-185-98)204-138(231)99(166)74-96-41-31-30-32-42-96/h30-32,41-42,78-79,81-90,92-95,99-121,130-132,183H,24-29,33-40,43-77,80,165-166H2,1-23H3,(H2,167,216)(H2,168,217)(H2,169,218)(H2,170,226)(H,177,184)(H,178,185)(H,179,219)(H,186,233)(H,187,234)(H,188,235)(H,189,245)(H,190,246)(H,191,227)(H,192,229)(H,193,228)(H,194,236)(H,195,237)(H,196,250)(H,197,248)(H,198,247)(H,199,252)(H,200,238)(H,201,242)(H,202,241)(H,203,230)(H,204,231)(H,205,243)(H,206,239)(H,207,249)(H,208,251)(H,209,240)(H,210,253)(H,211,244)(H,212,254)(H,213,232)(H,220,221)(H,222,223)(H,224,225)(H4,171,172,180)(H4,173,174,181)(H4,175,176,182)/t89-,90-,92-,93-,94-,95-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115-,116?,117?,118-,119-,120-,121-,130-,131-,132-/m0/s1
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2n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094651
PNG
(CHEMBL342580 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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2.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094638
PNG
(CHEMBL337128 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)[N+]([O-])=O)ccc2n1
Show InChI InChI=1S/C24H20N4O4/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-32-19-9-7-18(8-10-19)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29)
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2.30n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094642
PNG
(CHEMBL142454 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1
Show InChI InChI=1S/C24H20BrN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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2.60n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139920
PNG
(Ac-(Glu-Aib-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H112N18O21/c1-9-37(5)56(58(72)98)87-69(109)57(38(6)10-2)88-68(108)51(35-55(96)97)86-66(106)49(33-41-19-12-11-13-20-41)84-64(104)47(31-36(3)4)82-60(100)42(21-14-16-28-71)78-59(99)44(23-18-30-76-70(73)74)80-65(105)48(32-39(7)89)83-61(101)43-22-15-17-29-75-52(91)26-24-45(77-40(8)90)62(102)85-50(34-54(94)95)67(107)81-46(63(103)79-43)25-27-53(92)93/h11-13,19-20,36-38,42-51,56-57H,9-10,14-18,21-35,71H2,1-8H3,(H2,72,98)(H,75,91)(H,77,90)(H,78,99)(H,79,103)(H,80,105)(H,81,107)(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,106)(H,87,109)(H,88,108)(H,92,93)(H,94,95)(H,96,97)(H4,73,74,76)/t37-,38-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
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3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139907
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38+,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139905
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38-,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094646
PNG
(CHEMBL139934 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CN(C(=O)c1ccccc1COc1ccc(Cl)cc1)c1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C25H22ClN3O2/c1-16-13-23(27)22-14-19(9-12-24(22)28-16)29(2)25(30)21-6-4-3-5-17(21)15-31-20-10-7-18(26)8-11-20/h3-14H,15H2,1-2H3,(H2,27,28)
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6.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094636
PNG
(CHEMBL140103 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-16-7-10-20(11-8-16)30-15-18-5-3-4-6-21(18)25(29)28-19-9-12-24-22(14-19)23(26)13-17(2)27-24/h3-14H,15H2,1-2H3,(H2,26,27)(H,28,29)
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7n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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8.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094644
PNG
(CHEMBL140519 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-16-13-23(26)22-14-18(7-12-24(22)27-16)28-25(29)21-6-4-3-5-17(21)15-31-20-10-8-19(30-2)9-11-20/h3-14H,15H2,1-2H3,(H2,26,27)(H,28,29)
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12n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094639
PNG
(CHEMBL142999 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-21(26)19-13-17(10-11-22(19)27-15)28-24(29)18-7-3-2-6-16(18)14-30-23-9-5-4-8-20(23)25/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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13n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50157339
PNG
(4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1
Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)
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19n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094647
PNG
(CHEMBL143605 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-11-22(26)21-13-18(9-10-23(21)27-15)28-24(29)20-8-3-2-5-16(20)14-30-19-7-4-6-17(25)12-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139915
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H118N18O19/c1-11-37(7)55(57(71)95)85-67(105)56(38(8)12-2)86-66(104)49(34-54(93)94)83-59(97)41(36(5)6)20-13-14-24-50(88)47(32-35(3)4)82-62(100)42(21-15-17-29-69)79-61(99)44(23-19-31-75-68(72)73)81-65(103)48(33-51(70)89)84-63(101)43-22-16-18-30-74-52(90)27-25-45(77-40(10)87)60(98)76-39(9)58(96)78-46(64(102)80-43)26-28-53(91)92/h35-39,41-49,55-56H,11-34,69H2,1-10H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,98)(H,77,87)(H,78,96)(H,79,99)(H,80,102)(H,81,103)(H,82,100)(H,83,97)(H,84,101)(H,85,105)(H,86,104)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,39-,41?,42-,43-,44-,45+,46-,47-,48-,49-,55-,56-/m0/s1
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36.7n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094649
PNG
(CHEMBL140580 | N-(1-Amino-3-methyl-isoquinolin-7-y...)
Show SMILES Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-16-6-9-19(13-22(16)23(26)27-15)28-24(29)21-5-3-2-4-17(21)14-30-20-10-7-18(25)8-11-20/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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37n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50068488
PNG
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
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41n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139909
PNG
(Ac-(Glu-Ala-Lys-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H127N19O17/c1-12-41(7)58(60(75)97)88-70(107)59(42(8)13-2)89-67(104)50(29-32-57(95)96)82-62(99)45(40(5)6)23-14-15-28-54(92)51(37-39(3)4)86-65(102)47(25-17-20-34-73)83-64(101)49(27-22-36-79-71(76)77)85-68(105)52(38-55(74)93)87-66(103)48-26-18-21-35-78-56(94)31-30-53(90(11)44(10)91)69(106)80-43(9)61(98)81-46(63(100)84-48)24-16-19-33-72/h39-43,45-53,58-59H,12-38,72-73H2,1-11H3,(H2,74,93)(H2,75,97)(H,78,94)(H,80,106)(H,81,98)(H,82,99)(H,83,101)(H,84,100)(H,85,105)(H,86,102)(H,87,103)(H,88,107)(H,89,104)(H,95,96)(H4,76,77,79)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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44.8n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139901
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Lys-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N18O17/c1-11-40(7)58(60(74)95)87-70(105)59(41(8)12-2)88-67(102)50(27-29-57(93)94)80-62(97)45(39(5)6)21-13-14-25-54(90)51(33-38(3)4)84-65(100)47(23-16-19-31-72)81-64(99)46(22-15-18-30-71)83-69(104)53(35-55(73)91)86-66(101)48-24-17-20-32-76-56(92)28-26-49(79-43(10)89)63(98)78-42(9)61(96)85-52(68(103)82-48)34-44-36-75-37-77-44/h36-42,45-53,58-59H,11-35,71-72H2,1-10H3,(H2,73,91)(H2,74,95)(H,75,77)(H,76,92)(H,78,98)(H,79,89)(H,80,97)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,96)(H,86,101)(H,87,105)(H,88,102)(H,93,94)/t40-,41-,42-,45?,46+,47-,48-,49+,50-,51-,52-,53-,58-,59-/m0/s1
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45.1n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094637
PNG
(CHEMBL139566 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1
Show InChI InChI=1S/C24H21N3O3/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-30-19-9-7-18(28)8-10-19/h2-13,28H,14H2,1H3,(H2,25,26)(H,27,29)
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47n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139904
PNG
(Ac-(Glu-Ala-Leu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H126N18O17/c1-14-41(9)58(60(74)96)87-70(106)59(42(10)15-2)88-66(102)49(28-31-57(94)95)80-62(98)45(40(7)8)23-16-17-27-54(91)50(35-38(3)4)84-64(100)46(24-18-20-32-72)81-63(99)48(26-22-34-78-71(75)76)83-68(104)52(37-55(73)92)86-65(101)47-25-19-21-33-77-56(93)30-29-53(89(13)44(12)90)69(105)79-43(11)61(97)85-51(36-39(5)6)67(103)82-47/h38-43,45-53,58-59H,14-37,72H2,1-13H3,(H2,73,92)(H2,74,96)(H,77,93)(H,79,105)(H,80,98)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,97)(H,86,101)(H,87,106)(H,88,102)(H,94,95)(H4,75,76,78)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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48.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139908
PNG
(Ac-(Glu-Ala-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N20O17/c1-11-39(7)57(59(73)97)89-69(107)58(40(8)12-2)90-66(104)49(26-28-56(95)96)82-61(99)44(38(5)6)20-13-14-24-53(92)50(32-37(3)4)86-64(102)45(21-15-17-29-71)83-63(101)47(23-19-31-78-70(74)75)85-68(106)52(34-54(72)93)88-65(103)46-22-16-18-30-77-55(94)27-25-48(81-42(10)91)62(100)80-41(9)60(98)87-51(67(105)84-46)33-43-35-76-36-79-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,93)(H2,73,97)(H,76,79)(H,77,94)(H,80,100)(H,81,91)(H,82,99)(H,83,101)(H,84,105)(H,85,106)(H,86,102)(H,87,98)(H,88,103)(H,89,107)(H,90,104)(H,95,96)(H4,74,75,78)/t39-,40-,41+,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
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50n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094635
PNG
(CHEMBL336238 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1
Show InChI InChI=1S/C24H21N3O2/c1-16-13-22(25)21-14-18(11-12-23(21)26-16)27-24(28)20-10-6-5-7-17(20)15-29-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H2,25,26)(H,27,28)
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51n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139910
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Ala-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C67H113N17O17/c1-12-37(7)55(57(70)91)83-67(101)56(38(8)13-2)84-64(98)47(25-27-54(89)90)78-60(94)43(36(5)6)20-14-15-23-51(86)48(30-35(3)4)80-62(96)44(21-16-18-28-68)77-58(92)39(9)75-65(99)50(32-52(69)87)82-63(97)45-22-17-19-29-72-53(88)26-24-46(76-41(11)85)61(95)74-40(10)59(93)81-49(66(100)79-45)31-42-33-71-34-73-42/h33-40,43-50,55-56H,12-32,68H2,1-11H3,(H2,69,87)(H2,70,91)(H,71,73)(H,72,88)(H,74,95)(H,75,99)(H,76,85)(H,77,92)(H,78,94)(H,79,100)(H,80,96)(H,81,93)(H,82,97)(H,83,101)(H,84,98)(H,89,90)/t37-,38-,39+,40-,43?,44-,45-,46+,47-,48-,49-,50-,55-,56-/m0/s1
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70.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094643
PNG
(CHEMBL358306 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
Show InChI InChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29)
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80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139913
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C69H112N18O19/c1-10-37(5)55(57(71)95)86-68(106)56(38(6)11-2)87-67(105)51(35-54(93)94)85-66(104)50(34-42-20-13-12-14-21-42)84-64(102)48(32-36(3)4)82-61(99)43(22-15-17-29-70)79-60(98)45(24-19-31-75-69(72)73)81-65(103)49(33-39(7)88)83-62(100)44-23-16-18-30-74-52(90)27-25-46(77-41(9)89)59(97)76-40(8)58(96)78-47(63(101)80-44)26-28-53(91)92/h12-14,20-21,36-38,40,43-51,55-56H,10-11,15-19,22-35,70H2,1-9H3,(H2,71,95)(H,74,90)(H,76,97)(H,77,89)(H,78,96)(H,79,98)(H,80,101)(H,81,103)(H,82,99)(H,83,100)(H,84,102)(H,85,104)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,40-,43-,44-,45-,46+,47-,48-,49-,50-,51-,55-,56-/m0/s1
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81n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094641
PNG
(CHEMBL422641 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1
Show InChI InChI=1S/C24H22N4O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14,25H2,1H3,(H2,26,27)(H,28,29)
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82n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094645
PNG
(CHEMBL143243 | N-(4-Amino-quinolin-6-yl)-2-(4-chlo...)
Show SMILES Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C23H18ClN3O2/c24-16-5-8-18(9-6-16)29-14-15-3-1-2-4-19(15)23(28)27-17-7-10-22-20(13-17)21(25)11-12-26-22/h1-13H,14H2,(H2,25,26)(H,27,28)
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86n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094652
PNG
(CHEMBL343424 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O/c1-17-7-9-19(10-8-17)11-12-20-5-3-4-6-22(20)26(30)29-21-13-14-25-23(16-21)24(27)15-18(2)28-25/h3-10,13-16H,11-12H2,1-2H3,(H2,27,28)(H,29,30)
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89n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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103n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine (0.33 nM) binding from human Opioid receptor mu 1 expressed in CHO-K1 cells.


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094653
PNG
(CHEMBL141078 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1
Show InChI InChI=1S/C26H25N3O/c1-18-16-24(27)23-17-21(14-15-25(23)28-18)29-26(30)22-13-6-5-11-20(22)12-7-10-19-8-3-2-4-9-19/h2-6,8-9,11,13-17H,7,10,12H2,1H3,(H2,27,28)(H,29,30)
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121n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139914
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N18O19/c1-12-39(7)57(59(73)97)86-69(107)58(40(8)13-2)87-66(104)48(27-31-56(95)96)80-61(99)43(38(5)6)21-14-15-25-52(90)49(35-37(3)4)84-63(101)44(22-16-18-32-71)81-62(100)46(24-20-34-77-70(74)75)83-67(105)50(36-53(72)91)85-64(102)45-23-17-19-33-76-54(92)29-28-51(88(11)42(10)89)68(106)78-41(9)60(98)79-47(65(103)82-45)26-30-55(93)94/h37-41,43-51,57-58H,12-36,71H2,1-11H3,(H2,72,91)(H2,73,97)(H,76,92)(H,78,106)(H,79,98)(H,80,99)(H,81,100)(H,82,103)(H,83,105)(H,84,101)(H,85,102)(H,86,107)(H,87,104)(H,93,94)(H,95,96)(H4,74,75,77)/t39-,40-,41-,43?,44-,45-,46-,47-,48-,49-,50-,51+,57-,58-/m0/s1
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130n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50094654
PNG
(Biphenyl-2-carboxylic acid (4-amino-2-methyl-quino...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1
Show InChI InChI=1S/C23H19N3O/c1-15-13-21(24)20-14-17(11-12-22(20)25-15)26-23(27)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3,(H2,24,25)(H,26,27)
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369n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50068488
PNG
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
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620n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Trypsin


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139919
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C72H125N19O16/c1-13-42(9)59(61(74)97)90-71(107)60(43(10)14-2)91-68(104)52(28-30-58(95)96)83-63(99)47(41(7)8)22-15-16-26-56(93)53(34-39(3)4)87-66(102)48(23-17-19-31-73)84-65(101)50(25-21-33-79-72(75)76)86-69(105)54(35-40(5)6)89-67(103)49-24-18-20-32-78-57(94)29-27-51(82-45(12)92)64(100)81-44(11)62(98)88-55(70(106)85-49)36-46-37-77-38-80-46/h37-44,47-55,59-60H,13-36,73H2,1-12H3,(H2,74,97)(H,77,80)(H,78,94)(H,81,100)(H,82,92)(H,83,99)(H,84,101)(H,85,106)(H,86,105)(H,87,102)(H,88,98)(H,89,103)(H,90,107)(H,91,104)(H,95,96)(H4,75,76,79)/t42-,43-,44-,47?,48-,49-,50-,51+,52-,53-,54-,55-,59-,60-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139917
PNG
(Ac-(Glu-Ala-Asp-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C69H120N18O19/c1-12-38(7)56(58(72)96)85-68(106)57(39(8)13-2)86-64(102)46(26-29-54(92)93)78-60(98)42(37(5)6)21-14-15-25-51(89)47(33-36(3)4)82-62(100)43(22-16-18-30-70)79-61(99)45(24-20-32-76-69(73)74)81-65(103)48(34-52(71)90)84-63(101)44-23-17-19-31-75-53(91)28-27-50(87(11)41(10)88)67(105)77-40(9)59(97)83-49(35-55(94)95)66(104)80-44/h36-40,42-50,56-57H,12-35,70H2,1-11H3,(H2,71,90)(H2,72,96)(H,75,91)(H,77,105)(H,78,98)(H,79,99)(H,80,104)(H,81,103)(H,82,100)(H,83,97)(H,84,101)(H,85,106)(H,86,102)(H,92,93)(H,94,95)(H4,73,74,76)/t38-,39-,40-,42?,43-,44-,45-,46-,47-,48-,49-,50+,56-,57-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139918
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Gly-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C66H111N17O17/c1-11-37(7)55(57(69)91)82-66(100)56(38(8)12-2)83-64(98)46(24-26-54(89)90)77-59(93)42(36(5)6)19-13-14-22-50(85)47(29-35(3)4)79-62(96)43(20-15-17-27-67)76-53(88)33-72-60(94)49(31-51(68)86)81-63(97)44-21-16-18-28-71-52(87)25-23-45(75-40(10)84)61(95)74-39(9)58(92)80-48(65(99)78-44)30-41-32-70-34-73-41/h32,34-39,42-49,55-56H,11-31,33,67H2,1-10H3,(H2,68,86)(H2,69,91)(H,70,73)(H,71,87)(H,72,94)(H,74,95)(H,75,84)(H,76,88)(H,77,93)(H,78,99)(H,79,96)(H,80,92)(H,81,97)(H,82,100)(H,83,98)(H,89,90)/t37-,38-,39-,42?,43-,44-,45+,46-,47-,48-,49-,55-,56-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139916
PNG
(Ac-(Glu-Ala-His-Lys)-Gln-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H122N20O17/c1-11-40(7)58(60(74)98)90-70(108)59(41(8)12-2)91-68(106)51(27-30-57(96)97)83-62(100)45(39(5)6)20-13-14-24-54(93)52(34-38(3)4)88-66(104)46(21-15-17-31-72)84-65(103)48(23-19-33-79-71(75)76)85-67(105)50(25-28-55(73)94)87-64(102)47-22-16-18-32-78-56(95)29-26-49(82-43(10)92)63(101)81-42(9)61(99)89-53(69(107)86-47)35-44-36-77-37-80-44/h36-42,45-53,58-59H,11-35,72H2,1-10H3,(H2,73,94)(H2,74,98)(H,77,80)(H,78,95)(H,81,101)(H,82,92)(H,83,100)(H,84,103)(H,85,105)(H,86,107)(H,87,102)(H,88,104)(H,89,99)(H,90,108)(H,91,106)(H,96,97)(H4,75,76,79)/t40-,41-,42-,45?,46-,47-,48-,49+,50-,51-,52-,53-,58-,59-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139912
PNG
(Ac-(Glu-Ala-Phe-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C74H124N18O17/c1-12-43(7)61(63(77)99)90-73(109)62(44(8)13-2)91-69(105)52(31-34-60(97)98)83-65(101)48(42(5)6)26-17-18-30-57(94)53(38-41(3)4)87-67(103)49(27-19-21-35-75)84-66(102)51(29-23-37-81-74(78)79)86-71(107)55(40-58(76)95)89-68(104)50-28-20-22-36-80-59(96)33-32-56(92(11)46(10)93)72(108)82-45(9)64(100)88-54(70(106)85-50)39-47-24-15-14-16-25-47/h14-16,24-25,41-45,48-56,61-62H,12-13,17-23,26-40,75H2,1-11H3,(H2,76,95)(H2,77,99)(H,80,96)(H,82,108)(H,83,101)(H,84,102)(H,85,106)(H,86,107)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,105)(H,97,98)(H4,78,79,81)/t43-,44-,45-,48?,49-,50-,51-,52-,53-,54-,55-,56+,61-,62-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139911
PNG
(Ac-(Glu-Dap-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)NCC(N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H121N21O17/c1-10-39(7)57(59(74)98)90-69(108)58(40(8)11-2)91-66(105)49(25-27-56(96)97)83-60(99)43(38(5)6)19-12-13-23-53(93)50(31-37(3)4)87-64(103)45(20-14-16-28-71)84-63(102)47(22-18-30-79-70(75)76)86-68(107)52(33-54(73)94)89-65(104)46-21-15-17-29-78-55(95)26-24-48(82-41(9)92)62(101)80-35-44(72)61(100)88-51(67(106)85-46)32-42-34-77-36-81-42/h34,36-40,43-52,57-58H,10-33,35,71-72H2,1-9H3,(H2,73,94)(H2,74,98)(H,77,81)(H,78,95)(H,80,101)(H,82,92)(H,83,99)(H,84,102)(H,85,106)(H,86,107)(H,87,103)(H,88,100)(H,89,104)(H,90,108)(H,91,105)(H,96,97)(H4,75,76,79)/t39-,40-,43?,44?,45-,46+,47-,48+,49-,50-,51+,52-,57-,58-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139902
PNG
(Ac-(Glu-Ala-His-Lys)-Asp-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H119N19O18/c1-11-39(7)57(59(72)97)88-69(107)58(40(8)12-2)89-66(104)49(26-28-55(93)94)81-61(99)44(38(5)6)20-13-14-24-53(91)50(32-37(3)4)85-64(102)45(21-15-17-29-71)82-63(101)47(23-19-31-77-70(73)74)84-68(106)52(34-56(95)96)87-65(103)46-22-16-18-30-76-54(92)27-25-48(80-42(10)90)62(100)79-41(9)60(98)86-51(67(105)83-46)33-43-35-75-36-78-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,97)(H,75,78)(H,76,92)(H,79,100)(H,80,90)(H,81,99)(H,82,101)(H,83,105)(H,84,106)(H,85,102)(H,86,98)(H,87,103)(H,88,107)(H,89,104)(H,93,94)(H,95,96)(H4,73,74,77)/t39-,40-,41-,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139900
PNG
(Ac-(Glu-Asp-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H120N20O19/c1-10-39(7)58(60(74)100)90-70(110)59(40(8)11-2)91-66(106)48(25-27-56(96)97)82-61(101)43(38(5)6)19-12-13-23-53(93)49(31-37(3)4)86-63(103)44(20-14-16-28-72)83-62(102)46(22-18-30-79-71(75)76)85-68(108)51(33-54(73)94)88-64(104)45-21-15-17-29-78-55(95)26-24-47(81-41(9)92)65(105)89-52(34-57(98)99)69(109)87-50(67(107)84-45)32-42-35-77-36-80-42/h35-40,43-52,58-59H,10-34,72H2,1-9H3,(H2,73,94)(H2,74,100)(H,77,80)(H,78,95)(H,81,92)(H,82,101)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,109)(H,88,104)(H,89,105)(H,90,110)(H,91,106)(H,96,97)(H,98,99)(H4,75,76,79)/t39-,40-,43?,44-,45-,46-,47+,48-,49-,50-,51-,52+,58-,59-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139903
PNG
(Ac-(Glu-Ala-His-Lys)-Dab-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N20O16/c1-11-40(7)57(59(73)96)89-69(106)58(41(8)12-2)90-67(104)51(26-28-56(94)95)83-61(98)45(39(5)6)20-13-14-24-54(92)52(34-38(3)4)87-66(103)48(21-15-17-30-71)86-65(102)49(23-19-32-79-70(74)75)84-62(99)46(72)29-33-78-63(100)47-22-16-18-31-77-55(93)27-25-50(82-43(10)91)64(101)81-42(9)60(97)88-53(68(105)85-47)35-44-36-76-37-80-44/h36-42,45-53,57-58H,11-35,71-72H2,1-10H3,(H2,73,96)(H,76,80)(H,77,93)(H,78,100)(H,81,101)(H,82,91)(H,83,98)(H,84,99)(H,85,105)(H,86,102)(H,87,103)(H,88,97)(H,89,106)(H,90,104)(H,94,95)(H4,74,75,79)/t40-,41-,42-,45?,46+,47-,48-,49-,50+,51-,52-,53-,57-,58-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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1.06E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor kappa 1


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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8.65E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor delta 1 expressed in CHO-K1 cells.


J Med Chem 43: 4667-77 (2001)


Article DOI: 10.1021/jm0002073
BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50157339
PNG
(4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1
Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29)
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1.36E+4n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Trypsin


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50157341
PNG
(3-(2-Carbamimidoyl-isoquinolin-7-yl)-2-{4-[1-(1-im...)
Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H27N5O3/c1-16(26)29-11-9-22(15-29)33-21-6-4-19(5-7-21)23(24(31)32)13-17-2-3-18-8-10-30(25(27)28)14-20(18)12-17/h2-8,10,12,14,22-23,26H,9,11,13,15H2,1H3,(H3-,27,28,31,32)/p+1
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2.30E+4n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against plasmin; n=3


Bioorg Med Chem Lett 15: 185-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.033
BindingDB Entry DOI: 10.7270/Q26Q1Z14
More data for this
Ligand-Target Pair
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