Found 1633 hits with Last Name = 'o''brien' and Initial = 't' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for rat melanocortin-4 receptor |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165935
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50165935
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165929
(Ac-YR[CEH(pCl-dF)RWC]-NH2 | CHEMBL415661)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H78ClN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165932
(Ac-YRMEHdFRWG-NH2 | CHEMBL266879)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50165935
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1 | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165935
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165927
(Ac-YR[CEH(pF-dF)RWC]-NH2 | CHEMBL407809)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H78FN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165924
(Ac-YR[CEH(d-2alpha-Nal)RWC]-NH2 | CHEMBL412523)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C64H81N19O13S2/c1-34(84)75-47(25-35-15-18-41(85)19-16-35)58(92)76-45(13-7-23-72-64(68)69)56(90)83-52-32-98-97-31-51(54(65)88)82-60(94)49(27-39-29-73-43-11-5-4-10-42(39)43)80-55(89)44(12-6-22-71-63(66)67)77-59(93)48(26-36-14-17-37-8-2-3-9-38(37)24-36)79-61(95)50(28-40-30-70-33-74-40)81-57(91)46(78-62(52)96)20-21-53(86)87/h2-5,8-11,14-19,24,29-30,33,44-52,73,85H,6-7,12-13,20-23,25-28,31-32H2,1H3,(H2,65,88)(H,70,74)(H,75,84)(H,76,92)(H,77,93)(H,78,96)(H,79,95)(H,80,89)(H,81,91)(H,82,94)(H,83,90)(H,86,87)(H4,66,67,71)(H4,68,69,72)/t44-,45-,46+,47-,48-,49+,50-,51+,52+/m0/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521938
(CHEMBL4545456)Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
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| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521935
(CHEMBL4589135)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521925
(CHEMBL4529532)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1 | PDB
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| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521937
(CHEMBL4564687)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521933
(CHEMBL4440980)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | PDB
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| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50165936
(Ac-dR[CEHdFRWC]-NH2 | CHEMBL267900)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H70N18O11S2/c1-27(70)62-33(13-7-17-58-50(53)54)43(74)69-40-25-82-81-24-39(42(52)73)68-47(78)37(20-29-22-60-32-12-6-5-11-31(29)32)66-44(75)34(14-8-18-59-51(55)56)63-46(77)36(19-28-9-3-2-4-10-28)65-48(79)38(21-30-23-57-26-61-30)67-45(76)35(64-49(40)80)15-16-41(71)72/h2-6,9-12,22-23,26,33-40,60H,7-8,13-21,24-25H2,1H3,(H2,52,73)(H,57,61)(H,62,70)(H,63,77)(H,64,80)(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,74)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for rat melanocortin-4 receptor |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521934
(CHEMBL4546255)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1 | PDB
MMDB
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B.MOAD
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| Article
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521936
(CHEMBL4560219)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165941
(Ac-R[CEHdFRWC]-NH2 | CHEMBL408257)Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H70N18O11S2/c1-27(70)62-33(13-7-17-58-50(53)54)43(74)69-40-25-82-81-24-39(42(52)73)68-47(78)37(20-29-22-60-32-12-6-5-11-31(29)32)66-44(75)34(14-8-18-59-51(55)56)63-46(77)36(19-28-9-3-2-4-10-28)65-48(79)38(21-30-23-57-26-61-30)67-45(76)35(64-49(40)80)15-16-41(71)72/h2-6,9-12,22-23,26,33-40,60H,7-8,13-21,24-25H2,1H3,(H2,52,73)(H,57,61)(H,62,70)(H,63,77)(H,64,80)(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,74)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t33-,34-,35+,36-,37+,38-,39+,40+/m1/s1 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165933
(CHEMBL428326 | GPYRMEHFRWGSPPKD-NH2)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C89H127N27O22S/c1-139-37-30-60(107-76(127)57(19-9-32-98-88(93)94)104-82(133)63(39-50-24-26-53(118)27-25-50)113-84(135)67-21-11-34-114(67)71(120)43-91)80(131)106-59(28-29-72(121)122)79(130)112-65(41-52-45-97-48-102-52)83(134)110-62(38-49-14-3-2-4-15-49)81(132)105-58(20-10-33-99-89(95)96)78(129)111-64(40-51-44-100-55-17-6-5-16-54(51)55)75(126)101-46-70(119)103-66(47-117)86(137)116-36-13-23-69(116)87(138)115-35-12-22-68(115)85(136)108-56(18-7-8-31-90)77(128)109-61(74(92)125)42-73(123)124/h2-6,14-17,24-27,44-45,48,56-69,100,117-118H,7-13,18-23,28-43,46-47,90-91H2,1H3,(H2,92,125)(H,97,102)(H,101,126)(H,103,119)(H,104,133)(H,105,132)(H,106,131)(H,107,127)(H,108,136)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,135)(H,121,122)(H,123,124)(H4,93,94,98)(H4,95,96,99)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50165930
(Ac-YR[CEHdFRWC]-NH2 | CHEMBL264352)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H79N19O13S2/c1-32(80)71-43(24-34-15-17-37(81)18-16-34)54(88)72-41(14-8-22-68-60(64)65)52(86)79-48-30-94-93-29-47(50(61)84)78-56(90)45(25-35-27-69-39-12-6-5-11-38(35)39)76-51(85)40(13-7-21-67-59(62)63)73-55(89)44(23-33-9-3-2-4-10-33)75-57(91)46(26-36-28-66-31-70-36)77-53(87)42(74-58(48)92)19-20-49(82)83/h2-6,9-12,15-18,27-28,31,40-48,69,81H,7-8,13-14,19-26,29-30H2,1H3,(H2,61,84)(H,66,70)(H,71,80)(H,72,88)(H,73,89)(H,74,92)(H,75,91)(H,76,85)(H,77,87)(H,78,90)(H,79,86)(H,82,83)(H4,62,63,67)(H4,64,65,68)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1 | PDB
Reactome pathway
KEGG
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| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for rat melanocortin-4 receptor |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165926
(Ac-YR[CEHdFRWC]SPPKD-NH2 | CHEMBL2373515)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |wU:103.110,32.96,27.27,4.3,72.76,114.121,61.64,50.53,wD:110.118,94.99,16.16,123.130,36.37,82.87,(-1.2,-14.32,;-.65,-12.88,;.87,-12.64,;-1.63,-11.7,;-1.07,-10.25,;-2.62,-10.24,;-3.96,-9.47,;-5.2,-10.39,;-6.61,-9.78,;-6.79,-8.24,;-8.2,-7.63,;-5.55,-7.32,;-4.14,-7.93,;.45,-10.01,;1.41,-11.19,;.99,-8.56,;.02,-7.37,;1.51,-6.97,;3.03,-6.87,;3.9,-8.14,;5.44,-8.04,;6.29,-9.31,;7.83,-9.22,;5.61,-10.7,;-1.49,-7.62,;-2.04,-9.06,;-2.48,-6.43,;-1.91,-4.99,;-.42,-5.33,;1.11,-5.27,;2.58,-4.78,;3.85,-3.92,;4.85,-2.75,;5.49,-1.36,;5.74,.16,;7.28,.13,;5.56,1.69,;7.06,2.08,;8.14,3.18,;9.06,4.42,;10.51,3.93,;10.5,2.38,;11.63,1.35,;11.28,-.15,;9.82,-.62,;8.7,.44,;9.03,1.94,;4.98,3.11,;4.04,4.33,;5.12,5.43,;2.81,5.24,;3.54,6.6,;5.09,6.63,;5.82,7.98,;7.36,8,;8.1,9.36,;9.64,9.4,;7.3,10.67,;1.37,5.79,;-.16,5.95,;-.23,7.47,;-1.68,5.67,;-2.16,7.12,;-1.14,8.26,;.38,7.93,;1.39,9.08,;.91,10.56,;-.6,10.86,;-1.62,9.71,;-3.06,4.97,;-4.21,3.95,;-5.38,4.96,;-5.04,2.66,;-6.44,3.31,;-6.58,4.84,;-5.42,5.85,;-6.02,7.26,;-7.56,7.12,;-7.89,5.62,;-5.48,1.19,;-5.52,-.35,;-7.05,-.52,;-5.13,-1.84,;-6.56,-2.42,;-7.8,-1.48,;-9.21,-2.06,;-10.42,-1.11,;-9.42,-3.59,;-4.38,-3.17,;-3.27,-4.25,;-4.19,-5.49,;6.15,-3.59,;6.08,-5.12,;7.51,-2.88,;8.81,-3.7,;8.73,-5.24,;10.04,-6.07,;10.17,-3,;10.25,-1.46,;11.47,-3.71,;10.78,-2.02,;11.57,-.8,;12.9,-1.58,;12.83,-3.12,;14.14,-3.95,;14.07,-5.49,;15.34,-3.36,;14.94,-4.86,;15.22,-6.01,;16.72,-5.61,;16.79,-4.06,;18.17,-3.36,;18.22,-1.83,;19.46,-4.2,;20.82,-3.48,;20.9,-1.95,;22.25,-1.24,;22.33,.3,;23.7,1,;23.77,2.55,;22.11,-4.31,;22.04,-5.85,;23.49,-3.61,;24.79,-4.43,;24.71,-5.98,;26.01,-6.8,;27.51,-7.2,;25.94,-8.33,;26.15,-3.73,;27.45,-4.56,;26.22,-2.19,)| Show InChI InChI=1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54?,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/s1 | PDB
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| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165936
(Ac-dR[CEHdFRWC]-NH2 | CHEMBL267900)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H70N18O11S2/c1-27(70)62-33(13-7-17-58-50(53)54)43(74)69-40-25-82-81-24-39(42(52)73)68-47(78)37(20-29-22-60-32-12-6-5-11-31(29)32)66-44(75)34(14-8-18-59-51(55)56)63-46(77)36(19-28-9-3-2-4-10-28)65-48(79)38(21-30-23-57-26-61-30)67-45(76)35(64-49(40)80)15-16-41(71)72/h2-6,9-12,22-23,26,33-40,60H,7-8,13-21,24-25H2,1H3,(H2,52,73)(H,57,61)(H,62,70)(H,63,77)(H,64,80)(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,74)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165932
(Ac-YRMEHdFRWG-NH2 | CHEMBL266879)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165926
(Ac-YR[CEHdFRWC]SPPKD-NH2 | CHEMBL2373515)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |wU:103.110,32.96,27.27,4.3,72.76,114.121,61.64,50.53,wD:110.118,94.99,16.16,123.130,36.37,82.87,(-1.2,-14.32,;-.65,-12.88,;.87,-12.64,;-1.63,-11.7,;-1.07,-10.25,;-2.62,-10.24,;-3.96,-9.47,;-5.2,-10.39,;-6.61,-9.78,;-6.79,-8.24,;-8.2,-7.63,;-5.55,-7.32,;-4.14,-7.93,;.45,-10.01,;1.41,-11.19,;.99,-8.56,;.02,-7.37,;1.51,-6.97,;3.03,-6.87,;3.9,-8.14,;5.44,-8.04,;6.29,-9.31,;7.83,-9.22,;5.61,-10.7,;-1.49,-7.62,;-2.04,-9.06,;-2.48,-6.43,;-1.91,-4.99,;-.42,-5.33,;1.11,-5.27,;2.58,-4.78,;3.85,-3.92,;4.85,-2.75,;5.49,-1.36,;5.74,.16,;7.28,.13,;5.56,1.69,;7.06,2.08,;8.14,3.18,;9.06,4.42,;10.51,3.93,;10.5,2.38,;11.63,1.35,;11.28,-.15,;9.82,-.62,;8.7,.44,;9.03,1.94,;4.98,3.11,;4.04,4.33,;5.12,5.43,;2.81,5.24,;3.54,6.6,;5.09,6.63,;5.82,7.98,;7.36,8,;8.1,9.36,;9.64,9.4,;7.3,10.67,;1.37,5.79,;-.16,5.95,;-.23,7.47,;-1.68,5.67,;-2.16,7.12,;-1.14,8.26,;.38,7.93,;1.39,9.08,;.91,10.56,;-.6,10.86,;-1.62,9.71,;-3.06,4.97,;-4.21,3.95,;-5.38,4.96,;-5.04,2.66,;-6.44,3.31,;-6.58,4.84,;-5.42,5.85,;-6.02,7.26,;-7.56,7.12,;-7.89,5.62,;-5.48,1.19,;-5.52,-.35,;-7.05,-.52,;-5.13,-1.84,;-6.56,-2.42,;-7.8,-1.48,;-9.21,-2.06,;-10.42,-1.11,;-9.42,-3.59,;-4.38,-3.17,;-3.27,-4.25,;-4.19,-5.49,;6.15,-3.59,;6.08,-5.12,;7.51,-2.88,;8.81,-3.7,;8.73,-5.24,;10.04,-6.07,;10.17,-3,;10.25,-1.46,;11.47,-3.71,;10.78,-2.02,;11.57,-.8,;12.9,-1.58,;12.83,-3.12,;14.14,-3.95,;14.07,-5.49,;15.34,-3.36,;14.94,-4.86,;15.22,-6.01,;16.72,-5.61,;16.79,-4.06,;18.17,-3.36,;18.22,-1.83,;19.46,-4.2,;20.82,-3.48,;20.9,-1.95,;22.25,-1.24,;22.33,.3,;23.7,1,;23.77,2.55,;22.11,-4.31,;22.04,-5.85,;23.49,-3.61,;24.79,-4.43,;24.71,-5.98,;26.01,-6.8,;27.51,-7.2,;25.94,-8.33,;26.15,-3.73,;27.45,-4.56,;26.22,-2.19,)| Show InChI InChI=1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54?,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/s1 | PDB
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PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165930
(Ac-YR[CEHdFRWC]-NH2 | CHEMBL264352)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H79N19O13S2/c1-32(80)71-43(24-34-15-17-37(81)18-16-34)54(88)72-41(14-8-22-68-60(64)65)52(86)79-48-30-94-93-29-47(50(61)84)78-56(90)45(25-35-27-69-39-12-6-5-11-38(35)39)76-51(85)40(13-7-21-67-59(62)63)73-55(89)44(23-33-9-3-2-4-10-33)75-57(91)46(26-36-28-66-31-70-36)77-53(87)42(74-58(48)92)19-20-49(82)83/h2-6,9-12,15-18,27-28,31,40-48,69,81H,7-8,13-14,19-26,29-30H2,1H3,(H2,61,84)(H,66,70)(H,71,80)(H,72,88)(H,73,89)(H,74,92)(H,75,91)(H,76,85)(H,77,87)(H,78,90)(H,79,86)(H,82,83)(H4,62,63,67)(H4,64,65,68)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1 | PDB
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| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521927
(CHEMBL4466797)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
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| Article
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50165932
(Ac-YRMEHdFRWG-NH2 | CHEMBL266879)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1 | PDB
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PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165939
(AEKKDEGPYRMEHFRWGSPPKD | CHEMBL412536)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1 | PDB
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| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50181451
(CHEMBL3818265)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31) | PDB
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ... |
J Med Chem 59: 5520-41 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521940
(CHEMBL4539133)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521924
(CHEMBL4578267)Show SMILES C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165937
(Ac-YK[CEHdFRWC]-NH2 | CHEMBL412495)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H79N17O13S2/c1-33(78)69-44(25-35-16-18-38(79)19-17-35)55(86)70-41(14-7-8-22-61)53(84)77-49-31-92-91-30-48(51(62)82)76-57(88)46(26-36-28-67-40-13-6-5-12-39(36)40)74-52(83)42(15-9-23-66-60(63)64)71-56(87)45(24-34-10-3-2-4-11-34)73-58(89)47(27-37-29-65-32-68-37)75-54(85)43(72-59(49)90)20-21-50(80)81/h2-6,10-13,16-19,28-29,32,41-49,67,79H,7-9,14-15,20-27,30-31,61H2,1H3,(H2,62,82)(H,65,68)(H,69,78)(H,70,86)(H,71,87)(H,72,90)(H,73,89)(H,74,83)(H,75,85)(H,76,88)(H,77,84)(H,80,81)(H4,63,64,66)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521939
(CHEMBL4520067)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r| Show InChI InChI=1S/C25H33FN8/c1-3-32-10-12-33(13-11-32)17-19-7-8-22(27-14-19)30-25-28-16-21(26)23(31-25)20-15-29-34-9-5-4-6-18(2)24(20)34/h7-8,14-16,18H,3-6,9-13,17H2,1-2H3,(H,27,28,30,31)/t18-/m1/s1 | PDB
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| Article
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50165932
(Ac-YRMEHdFRWG-NH2 | CHEMBL266879)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521926
(CHEMBL4561999)Show SMILES C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521937
(CHEMBL4564687)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521935
(CHEMBL4589135)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521932
(CHEMBL4588989)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1 Show InChI InChI=1S/C22H27FN8/c1-29-9-11-30(12-10-29)16-6-7-20(24-13-16)27-22-25-15-18(23)21(28-22)17-14-26-31-8-4-2-3-5-19(17)31/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,25,27,28) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148928
(CHEMBL3770909)Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20- | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148920
(CHEMBL3769478)Show SMILES CN[C@H]1CO[C@H](Cn2c3nc(NC)ncc3cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c2=O)OC1 |r,wU:2.1,wD:5.5,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;4,3.08,;2.93,3.7,;8,3.84,;9.34,3.07,;10.67,3.84,;10.67,5.38,;9.34,6.15,;9.34,7.39,;8,5.38,;2.66,-.77,;3.73,-1.38,;4,-3.07,;5.34,-3.84,)| Show InChI InChI=1S/C26H27ClN6O3/c1-15-5-4-6-22(31-15)16-7-8-19(21(27)10-16)20-9-17-11-30-26(29-3)32-24(17)33(25(20)34)12-23-35-13-18(28-2)14-36-23/h4-11,18,23,28H,12-14H2,1-3H3,(H,29,30,32)/t18-,23- | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186127
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 3449-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50181451
(CHEMBL3818265)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31) | PDB
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Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol... |
J Med Chem 59: 5520-41 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148927
(CHEMBL3770588)Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C28H31ClN6O/c1-3-31-28-32-15-20-13-23(22-12-9-19(14-24(22)29)25-6-4-5-17(2)33-25)27(36)35(26(20)34-28)16-18-7-10-21(30)11-8-18/h4-6,9,12-15,18,21H,3,7-8,10-11,16,30H2,1-2H3,(H,31,32,34)/t18-,21- | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521938
(CHEMBL4545456)Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165928
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165938
(Ac-YCit[CEHdFRWC]-NH2 | CHEMBL412494)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C60H78N18O14S2/c1-32(79)70-43(24-34-15-17-37(80)18-16-34)54(87)71-41(14-8-22-67-60(64)92)52(85)78-48-30-94-93-29-47(50(61)83)77-56(89)45(25-35-27-68-39-12-6-5-11-38(35)39)75-51(84)40(13-7-21-66-59(62)63)72-55(88)44(23-33-9-3-2-4-10-33)74-57(90)46(26-36-28-65-31-69-36)76-53(86)42(73-58(48)91)19-20-49(81)82/h2-6,9-12,15-18,27-28,31,40-48,68,80H,7-8,13-14,19-26,29-30H2,1H3,(H2,61,83)(H,65,69)(H,70,79)(H,71,87)(H,72,88)(H,73,91)(H,74,90)(H,75,84)(H,76,86)(H,77,89)(H,78,85)(H,81,82)(H4,62,63,66)(H3,64,67,92)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1 | PDB
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
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