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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'tomimoto' and Initial = 'm'   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50139906
PNG
(CHEMBL414991 | DPhe-His-Leu-Leu-Arg-Glu-Val-Leu-Gl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)CN[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
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
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
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
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
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
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
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
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
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))		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
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))		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
Renin


(Homo sapiens (Human))		BDBM50195224
PNG
(CHEMBL3916240)
Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195228
PNG
(CHEMBL3925242)
Show SMILES Cl.Cl.CC(C)CN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195233
PNG
(CHEMBL3897200)
Show SMILES Cl.Cl.CCCCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-5-6-12-28(17-9-7-11-24-14-17)21(29)19-16-26-22(23(2,3)4)27-20(19)25-15-18-10-8-13-30-18;;/h8,10,13,16-17,24H,5-7,9,11-12,14-15H2,1-4H3,(H,25,26,27);2*1H
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195227
PNG
(CHEMBL3986004)
Show SMILES Cl.Cl.CC(C)CN([C@@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m1../s1
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n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195229
PNG
(CHEMBL3944198)
Show SMILES Cl.Cl.CCCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C22H33N5O2.2ClH/c1-5-11-27(16-8-6-10-23-13-16)20(28)18-15-25-21(22(2,3)4)26-19(18)24-14-17-9-7-12-29-17;;/h7,9,12,15-16,23H,5-6,8,10-11,13-14H2,1-4H3,(H,24,25,26);2*1H
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n/an/a 4.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195224
PNG
(CHEMBL3916240)
Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in human plasma by radioimmunoassay

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195230
PNG
(CHEMBL3973683)
Show SMILES Cl.Cl.CCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C21H31N5O2.2ClH/c1-5-26(15-8-6-10-22-12-15)19(27)17-14-24-20(21(2,3)4)25-18(17)23-13-16-9-7-11-28-16;;/h7,9,11,14-15,22H,5-6,8,10,12-13H2,1-4H3,(H,23,24,25);2*1H
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195230
PNG
(CHEMBL3973683)
Show SMILES Cl.Cl.CCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C21H31N5O2.2ClH/c1-5-26(15-8-6-10-22-12-15)19(27)17-14-24-20(21(2,3)4)25-18(17)23-13-16-9-7-11-28-16;;/h7,9,11,14-15,22H,5-6,8,10,12-13H2,1-4H3,(H,23,24,25);2*1H
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n/an/a 73n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195223
PNG
(CHEMBL3935225)
Show SMILES Cl.Cl.CCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)C
Show InChI InChI=1S/C20H29N5O2.2ClH/c1-4-25(15-7-5-9-21-11-15)20(26)17-13-23-18(14(2)3)24-19(17)22-12-16-8-6-10-27-16;;/h6,8,10,13-15,21H,4-5,7,9,11-12H2,1-3H3,(H,22,23,24);2*1H
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n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195223
PNG
(CHEMBL3935225)
Show SMILES Cl.Cl.CCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)C
Show InChI InChI=1S/C20H29N5O2.2ClH/c1-4-25(15-7-5-9-21-11-15)20(26)17-13-23-18(14(2)3)24-19(17)22-12-16-8-6-10-27-16;;/h6,8,10,13-15,21H,4-5,7,9,11-12H2,1-3H3,(H,22,23,24);2*1H
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n/an/a 470n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195232
PNG
(CHEMBL3962717)
Show SMILES Cl.Cl.CCN(C1CCCNC1)C(=O)c1cnc(C)nc1NCc1ccco1
Show InChI InChI=1S/C18H25N5O2.2ClH/c1-3-23(14-6-4-8-19-10-14)18(24)16-12-20-13(2)22-17(16)21-11-15-7-5-9-25-15;;/h5,7,9,12,14,19H,3-4,6,8,10-11H2,1-2H3,(H,20,21,22);2*1H
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n/an/a 1.10E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50033317
PNG
(CHEMBL332686 | Furan-2-ylmethyl-(2-phenyl-quinazol...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50195325
PNG
(CHEMBL3891853)
Show SMILES CCC1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1
Show InChI InChI=1S/C19H25N3O2/c1-3-15-7-4-5-11-22(15)19(23)17-10-9-14(2)21-18(17)20-13-16-8-6-12-24-16/h6,8-10,12,15H,3-5,7,11,13H2,1-2H3,(H,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 6066-6074 (2016)


Article DOI: 10.1016/j.bmc.2016.09.065
BindingDB Entry DOI: 10.7270/Q2JW8GVK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195226
PNG
(CHEMBL3919906)
Show SMILES Cc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1
Show InChI InChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50195226
PNG
(CHEMBL3919906)
Show SMILES Cc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1
Show InChI InChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 6066-6074 (2016)


Article DOI: 10.1016/j.bmc.2016.09.065
BindingDB Entry DOI: 10.7270/Q2JW8GVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50195225
PNG
(CHEMBL3915117)
Show SMILES C(Nc1ncnc2sc3CCCCc3c12)c1ccco1
Show InChI InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50195225
PNG
(CHEMBL3915117)
Show SMILES C(Nc1ncnc2sc3CCCCc3c12)c1ccco1
Show InChI InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 6066-6074 (2016)


Article DOI: 10.1016/j.bmc.2016.09.065
BindingDB Entry DOI: 10.7270/Q2JW8GVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))		BDBM50195224
PNG
(CHEMBL3916240)
Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195234
PNG
(CHEMBL3926340)
Show SMILES Cl.Cl.CN(C1CCCNC1)C(=O)c1cnc(C)nc1NCc1ccco1
Show InChI InChI=1S/C17H23N5O2.2ClH/c1-12-19-11-15(16(21-12)20-10-14-6-4-8-24-14)17(23)22(2)13-5-3-7-18-9-13;;/h4,6,8,11,13,18H,3,5,7,9-10H2,1-2H3,(H,19,20,21);2*1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195231
PNG
(CHEMBL3953971)
Show SMILES Cl.Cl.CCN(C1CCNCC1)C(=O)c1cnc(C)nc1NCc1ccco1
Show InChI InChI=1S/C18H25N5O2/c1-3-23(14-6-8-19-9-7-14)18(24)16-12-20-13(2)22-17(16)21-11-15-5-4-10-25-15/h4-5,10,12,14,19H,3,6-9,11H2,1-2H3,(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50354357
PNG
(CHEMBL1836471 | DT2000-0142665, MAP03)
Show SMILES Nc1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C10H11N3S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H2,11,12,13)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 6066-6074 (2016)


Article DOI: 10.1016/j.bmc.2016.09.065
BindingDB Entry DOI: 10.7270/Q2JW8GVK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195324
PNG
(CHEMBL3561633)
Show SMILES NCc1ccco1
Show InChI InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-...

Bioorg Med Chem 24: 6066-6074 (2016)


Article DOI: 10.1016/j.bmc.2016.09.065
BindingDB Entry DOI: 10.7270/Q2JW8GVK
More data for this
Ligand-Target Pair