Found 130 hits with Last Name = 'funakoshi' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM86674
(ATC0175)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
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| Article
PubMed
| 7.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 831-9 (2005)
Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86674
(ATC0175)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| 9.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 831-9 (2005)
Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM86673
(ATC 0065 | ATC0065 | CAS_510732-84-0)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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PC cid
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UniChem
Similars
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PubMed
| 15.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 831-9 (2005)
Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM86674
(ATC0175)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
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UniChem
Similars
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PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 831-9 (2005)
Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86673
(ATC 0065 | ATC0065 | CAS_510732-84-0)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 831-9 (2005)
Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Monkey) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(RAT) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Excitatory amino acid transporter 2
(Homo sapiens (Human)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM86058
(MCL0129)Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 304: 818-26 (2003)
Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166561
(CHEMBL195380 | Naphthalene-1-sulfonic acid {4-[(4-...)Show SMILES Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31) | KEGG
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Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166554
(CHEMBL192266 | N-{4-[(4-Amino-quinazolin-2-ylamino...)Show SMILES Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;9.64,-1.9,;7.78,-4.32,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C23H25BrF3N5O3S/c24-16-9-10-20(19(11-16)35-23(25,26)27)36(33,34)30-13-15-7-5-14(6-8-15)12-29-22-31-18-4-2-1-3-17(18)21(28)32-22/h1-4,9-11,14-15,30H,5-8,12-13H2,(H3,28,29,31,32) | KEGG
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170193
(CHEMBL360081 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1 |wU:13.13,16.20,(10.67,4.4,;9.34,3.62,;9.34,2.08,;10.69,1.31,;10.69,-.23,;12.02,-1,;13.35,-.22,;9.36,-1,;8.01,-.23,;8.01,1.3,;6.68,-1,;6.68,-2.54,;5.35,-.23,;4.02,-1,;4.02,-2.54,;2.69,-3.31,;1.35,-2.53,;1.34,-1,;2.68,-.23,;.01,-3.3,;-1.32,-2.54,;-1.32,-.99,;-2.66,-.23,;-2.68,1.31,;-1.35,2.09,;-4.01,2.07,;-3.98,-1.01,;-5.32,-.24,;-6.65,-1.01,;-6.65,-2.55,;-5.32,-3.32,;-3.98,-2.55,;-2.65,-3.32,)| Show InChI InChI=1S/C25H31N5O3/c1-30(2)23-21-7-5-6-8-22(21)28-25(29-23)27-18-11-9-17(10-12-18)26-24(31)16-13-19(32-3)15-20(14-16)33-4/h5-8,13-15,17-18H,9-12H2,1-4H3,(H,26,31)(H,27,28,29)/t17-,18+ | Reactome pathway
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166552
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)| Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31) | KEGG
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166555
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33) | KEGG
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50170189
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)/t16-,17- | KEGG
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against neuropeptide Y receptor type 5 by using [125I]PYY as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170191
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | Reactome pathway
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170180
(3-Chloro-N-[4-(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(1.9,3.91,;.57,3.14,;-.76,3.9,;.58,1.6,;1.92,.83,;1.92,-.71,;3.25,-1.47,;4.6,-.71,;5.93,-1.48,;7.26,-.71,;7.26,.83,;5.93,1.6,;4.58,.83,;8.59,1.6,;9.92,.83,;9.92,-.71,;11.25,1.6,;12.6,.83,;13.93,1.6,;13.93,3.14,;12.58,3.91,;12.58,5.45,;11.25,3.13,;.59,-1.49,;-.74,-.72,;-2.08,-1.5,;-3.41,-.73,;-3.41,.82,;-2.08,1.59,;-.74,.82,)| Show InChI InChI=1S/C23H26ClN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+ | Reactome pathway
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170179
(CHEMBL180962 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)nc2ccccc12 |wU:10.13,7.6,(-2.22,2.73,;-.88,1.98,;.45,2.75,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)| Show InChI InChI=1S/C24H29N5O/c1-16-7-6-8-17(15-16)23(30)25-18-11-13-19(14-12-18)26-24-27-21-10-5-4-9-20(21)22(28-24)29(2)3/h4-10,15,18-19H,11-14H2,1-3H3,(H,25,30)(H,26,27,28)/t18-,19+ | Reactome pathway
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170192
(CHEMBL181466 | cis-N*2*-{4-[(4-Bromo-2-trifluorome...)Show SMILES CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(9.05,-31.64,;7.7,-32.41,;6.37,-31.64,;7.7,-33.96,;9.05,-34.73,;9.05,-36.27,;10.39,-37.07,;11.49,-35.97,;11.48,-37.5,;12.8,-38.28,;14.15,-37.51,;15.48,-38.28,;16.81,-37.51,;18.14,-38.28,;19.48,-37.49,;19.46,-35.97,;20.79,-35.17,;22.13,-35.95,;23.46,-35.17,;22.14,-37.49,;20.82,-38.26,;20.82,-39.8,;22.15,-40.58,;23.67,-39.99,;23.38,-41.28,;22.42,-42.17,;14.15,-35.97,;12.81,-35.2,;7.7,-37.04,;6.37,-36.27,;5.03,-37.04,;3.7,-36.27,;3.7,-34.75,;5.03,-33.96,;6.37,-34.73,)| Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-7-16(8-12-19)14-30-15-17-9-10-18(26)13-22(17)35-25(27,28)29/h3-6,9-10,13,16,19,30H,7-8,11-12,14-15H2,1-2H3,(H,31,32,33) | Reactome pathway
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166559
(Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...)Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)| Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26) | KEGG
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170182
(3,4-Dichloro-N-[4-(4-dimethylamino-quinazolin-2-yl...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(-2.35,4.13,;-3.68,3.35,;-5.01,4.12,;-3.68,1.81,;-2.33,1.05,;-2.33,-.5,;-1,-1.24,;.35,-.49,;1.69,-1.27,;3.02,-.5,;3.02,1.04,;1.68,1.81,;.33,1.04,;4.35,1.81,;5.68,1.04,;5.68,-.5,;7.01,1.81,;8.35,1.04,;9.68,1.81,;9.68,3.35,;11.01,4.12,;8.34,4.12,;8.34,5.66,;7.01,3.35,;-3.66,-1.27,;-4.99,-.5,;-6.32,-1.28,;-7.65,-.51,;-7.65,1.03,;-6.32,1.81,;-4.99,1.04,)| Show InChI InChI=1S/C23H25Cl2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50166551
(CHEMBL194173 | N*2*-[1-(4-Bromo-2-trifluoromethoxy...)Show SMILES CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 Show InChI InChI=1S/C23H25BrF3N5O3S/c1-31(2)21-17-5-3-4-6-18(17)29-22(30-21)28-14-15-9-11-32(12-10-15)36(33,34)20-8-7-16(24)13-19(20)35-23(25,26)27/h3-8,13,15H,9-12,14H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912 |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170176
(3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Br)c2)nc2ccccc12 |wU:10.13,7.6,(.45,2.75,;-.88,1.98,;-2.22,2.73,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)| Show InChI InChI=1S/C23H26BrN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+ | Reactome pathway
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| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170200
(CHEMBL181383 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12 |wU:10.13,7.6,(-2.82,1.96,;-1.49,1.21,;-.16,1.98,;-1.47,-.33,;-.13,-1.1,;-.13,-2.64,;1.2,-3.41,;2.54,-2.64,;3.88,-3.41,;5.21,-2.64,;5.21,-1.1,;3.86,-.33,;2.53,-1.1,;6.54,-.33,;7.87,-1.1,;7.87,-2.64,;9.2,-.33,;10.55,-1.1,;11.88,-.33,;11.88,1.21,;10.53,1.98,;9.2,1.19,;10.53,3.52,;11.85,4.29,;9.19,4.27,;-1.46,-3.43,;-2.79,-2.66,;-4.13,-3.44,;-5.46,-2.67,;-5.46,-1.12,;-4.13,-.35,;-2.79,-1.12,)| Show InChI InChI=1S/C23H26N6O3/c1-28(2)21-19-8-3-4-9-20(19)26-23(27-21)25-17-12-10-16(11-13-17)24-22(30)15-6-5-7-18(14-15)29(31)32/h3-9,14,16-17H,10-13H2,1-2H3,(H,24,30)(H,25,26,27)/t16-,17+ | Reactome pathway
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50166555
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33) | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912 |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170189
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)/t16-,17- | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170199
(CHEMBL361442 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)nc2ccccc12 |wU:10.13,7.6,(-.37,3.9,;.98,3.14,;2.31,3.91,;.99,1.6,;2.32,.83,;2.33,-.71,;3.66,-1.47,;5,-.71,;6.33,-1.48,;7.66,-.71,;7.66,.83,;6.33,1.6,;4.99,.83,;9.01,1.6,;10.34,.83,;10.34,-.71,;11.67,1.6,;11.67,3.13,;12.98,3.91,;14.33,3.14,;15.66,3.91,;14.33,1.6,;13,.83,;1,-1.49,;-.34,-.72,;-1.67,-1.5,;-3,-.73,;-3,.82,;-1.67,1.59,;-.34,.82,)| Show InChI InChI=1S/C23H26FN5O/c1-29(2)21-19-5-3-4-6-20(19)27-23(28-21)26-18-13-11-17(12-14-18)25-22(30)15-7-9-16(24)10-8-15/h3-10,17-18H,11-14H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+ | Reactome pathway
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170198
(CHEMBL362193 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)| Show InChI InChI=1S/C23H26FN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+ | Reactome pathway
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| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170194
(CHEMBL367355 | trans-4-Bromo-N-{4-[(4-dimethylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)| Show InChI InChI=1S/C26H29BrF3N5O2/c1-35(2)23-19-5-3-4-6-21(19)33-25(34-23)32-15-17-9-7-16(8-10-17)14-31-24(36)20-12-11-18(27)13-22(20)37-26(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,31,36)(H,32,33,34) | PDB
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| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170195
(3-Cyano-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C#N)nc2ccccc12 |wU:10.13,7.6,(-2.35,2.79,;-1.02,2.02,;.31,2.8,;-1,.48,;.33,-.28,;.33,-1.83,;1.66,-2.57,;3.01,-1.82,;4.35,-2.6,;5.68,-1.83,;5.68,-.29,;4.32,.48,;2.99,-.29,;7.01,.48,;8.34,-.29,;8.34,-1.83,;9.67,.48,;11.01,-.29,;12.34,.48,;12.34,2.02,;11,2.79,;9.67,2.02,;11,4.33,;10.99,5.87,;-1,-2.6,;-2.33,-1.83,;-3.68,-2.61,;-4.99,-1.84,;-4.99,-.29,;-3.68,.48,;-2.33,-.29,)| Show InChI InChI=1S/C24H26N6O/c1-30(2)22-20-8-3-4-9-21(20)28-24(29-22)27-19-12-10-18(11-13-19)26-23(31)17-7-5-6-16(14-17)15-25/h3-9,14,18-19H,10-13H2,1-2H3,(H,26,31)(H,27,28,29)/t18-,19+ | Reactome pathway
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170183
(CHEMBL181632 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |wU:10.13,7.6,(2.19,2.63,;.86,1.86,;-.48,2.61,;.87,.32,;2.2,-.45,;2.22,-1.99,;3.55,-2.75,;4.88,-1.99,;6.21,-2.76,;7.54,-1.99,;7.54,-.45,;6.21,.32,;4.88,-.45,;8.89,.32,;10.22,-.45,;10.22,-1.99,;11.55,.32,;12.89,-.45,;14.22,.32,;14.22,1.86,;12.86,2.63,;11.55,1.84,;12.86,4.17,;12.86,5.57,;14.1,5.18,;11.62,5.17,;.89,-2.78,;-.46,-2.01,;-1.79,-2.78,;-3.12,-2.01,;-3.12,-.47,;-1.79,.3,;-.46,-.47,)| Show InChI InChI=1S/C24H26F3N5O/c1-32(2)21-19-8-3-4-9-20(19)30-23(31-21)29-18-12-10-17(11-13-18)28-22(33)15-6-5-7-16(14-15)24(25,26)27/h3-9,14,17-18H,10-13H2,1-2H3,(H,28,33)(H,29,30,31)/t17-,18+ | Reactome pathway
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50166552
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)| Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31) | PDB
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Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912 |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170177
(CHEMBL360117 | trans-4-Bromo-N-{4-[(4-dimethylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)| Show InChI InChI=1S/C26H31BrF3N5O/c1-35(2)24-21-5-3-4-6-22(21)33-25(34-24)32-15-18-9-7-17(8-10-18)14-31-16-19-11-12-20(27)13-23(19)36-26(28,29)30/h3-6,11-13,17-18,31H,7-10,14-16H2,1-2H3,(H,32,33,34) | PDB
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166563
(4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)Show SMILES CN(C)c1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-4.36,.26,;-2.96,-.38,;-1.7,.51,;-2.94,-1.92,;-1.59,-2.69,;-1.58,-4.25,;-.26,-5.02,;1.07,-4.25,;1.06,-2.71,;2.39,-1.92,;3.72,-2.69,;3.73,-4.23,;2.4,-5.02,;5.06,-1.92,;6.39,-2.71,;7.15,-1.36,;5.3,-3.79,;7.7,-3.51,;9.05,-2.78,;10.36,-3.58,;10.32,-5.12,;11.63,-5.93,;8.97,-5.86,;7.66,-5.05,;6.31,-5.79,;6.26,-7.31,;6.25,-8.85,;4.72,-7.31,;7.8,-7.31,;-2.93,-5.02,;-4.27,-4.25,;-5.62,-5.02,;-6.95,-4.25,;-6.95,-2.71,;-5.62,-1.94,;-4.29,-2.71,)| Show InChI InChI=1S/C23H25BrF3N5O3S/c1-32(2)21-17-5-3-4-6-18(17)29-22(30-21)28-15-8-10-16(11-9-15)31-36(33,34)20-12-7-14(24)13-19(20)35-23(25,26)27/h3-7,12-13,15-16,31H,8-11H2,1-2H3,(H,28,29,30) | KEGG
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Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170187
(CHEMBL181727 | trans-4-Bromo-N-{4-[(4-dimethylamin...)Show SMILES CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.25,5.67,;-7.59,4.9,;-8.94,5.67,;-7.59,3.36,;-6.25,2.59,;-6.25,1.04,;-4.9,.25,;-3.57,1.03,;-2.24,.26,;-2.24,-1.27,;-.93,-2.04,;.42,-1.29,;1.75,-2.06,;3.08,-1.29,;3.07,.26,;4.42,-2.06,;4.4,-3.6,;4.4,-.51,;5.75,-1.27,;5.73,.26,;7.06,1.04,;8.4,.28,;9.73,1.07,;8.41,-1.26,;7.09,-2.04,;7.09,-3.58,;8.42,-4.35,;9.65,-5.05,;8.69,-5.93,;9.94,-3.77,;.42,.25,;-.91,1.03,;-7.59,.27,;-8.92,1.04,;-10.25,.27,;-11.59,1.04,;-11.59,2.57,;-10.25,3.36,;-8.92,2.59,)| Show InChI InChI=1S/C26H31BrF3N5O3S/c1-34(2)24-20-6-4-5-7-21(20)32-25(33-24)31-15-17-8-10-18(11-9-17)16-35(3)39(36,37)23-13-12-19(27)14-22(23)38-26(28,29)30/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,31,32,33) | PDB
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170175
(CHEMBL178084 | cis-N*2*-[4-(4-Bromo-2-trifluoromet...)Show SMILES CN(C)c1nc(NC2CCC(CC2)NCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(8.32,-4.94,;6.98,-5.71,;5.64,-4.94,;6.98,-7.26,;8.32,-8.03,;8.32,-9.57,;9.66,-10.37,;10.76,-9.27,;10.76,-10.8,;12.07,-11.57,;13.42,-10.81,;13.42,-9.27,;12.09,-8.5,;14.75,-11.58,;16.09,-12.35,;17.42,-11.57,;17.4,-10.04,;18.73,-9.26,;20.07,-10.02,;21.4,-9.24,;20.08,-11.56,;18.76,-12.35,;18.76,-13.89,;20.09,-14.66,;21.61,-14.08,;21.32,-15.35,;20.37,-16.23,;6.98,-10.34,;5.64,-9.57,;4.31,-10.34,;2.98,-9.57,;2.98,-8.04,;4.31,-7.26,;5.64,-8.03,)| Show InChI InChI=1S/C24H27BrF3N5O/c1-33(2)22-19-5-3-4-6-20(19)31-23(32-22)30-18-11-9-17(10-12-18)29-14-15-7-8-16(25)13-21(15)34-24(26,27)28/h3-8,13,17-18,29H,9-12,14H2,1-2H3,(H,30,31,32) | Reactome pathway
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Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170185
(CHEMBL360159 | N-[4-(4-Dimethylamino-quinazolin-2-...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2F)nc2ccccc12 |wU:10.13,7.6,(-4.15,2.37,;-2.8,1.6,;-1.47,2.38,;-2.79,.06,;-1.46,-.7,;-1.45,-2.25,;-.12,-2.99,;1.22,-2.24,;2.55,-3.02,;3.88,-2.25,;3.88,-.71,;2.55,.06,;1.21,-.71,;5.23,.06,;6.56,-.71,;6.56,-2.25,;7.89,.06,;9.22,-.71,;10.55,.06,;10.55,1.6,;11.88,2.37,;9.2,2.37,;9.2,3.91,;7.89,1.6,;6.54,2.37,;-2.78,-3.02,;-4.12,-2.25,;-5.45,-3.03,;-6.78,-2.26,;-6.78,-.72,;-5.45,.06,;-4.12,-.71,)| Show InChI InChI=1S/C23H24F3N5O/c1-31(2)21-15-5-3-4-6-18(15)29-23(30-21)28-14-9-7-13(8-10-14)27-22(32)16-11-12-17(24)20(26)19(16)25/h3-6,11-14H,7-10H2,1-2H3,(H,27,32)(H,28,29,30)/t13-,14+ | Reactome pathway
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE... |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50166564
(CHEMBL195123 | N-{4-[(4-Dimethylamino-quinazolin-2...)Show SMILES CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 |(-4.52,4.4,;-3.12,3.75,;-1.82,4.59,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;10.2,-4.04,;7.78,-4.32,;9.64,-1.9,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C19H29N5O2S/c1-24(2)18-16-6-4-5-7-17(16)22-19(23-18)20-12-14-8-10-15(11-9-14)13-21-27(3,25)26/h4-7,14-15,21H,8-13H2,1-3H3,(H,20,22,23) | KEGG
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY |
Bioorg Med Chem Lett 15: 2565-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170196
(CHEMBL182235 | trans-N*2*-(4-{[(4-Bromo-2-trifluor...)Show SMILES CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)| Show InChI InChI=1S/C27H33BrF3N5O/c1-35(2)25-22-6-4-5-7-23(22)33-26(34-25)32-15-18-8-10-19(11-9-18)16-36(3)17-20-12-13-21(28)14-24(20)37-27(29,30)31/h4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50170182
(3,4-Dichloro-N-[4-(4-dimethylamino-quinazolin-2-yl...)Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(-2.35,4.13,;-3.68,3.35,;-5.01,4.12,;-3.68,1.81,;-2.33,1.05,;-2.33,-.5,;-1,-1.24,;.35,-.49,;1.69,-1.27,;3.02,-.5,;3.02,1.04,;1.68,1.81,;.33,1.04,;4.35,1.81,;5.68,1.04,;5.68,-.5,;7.01,1.81,;8.35,1.04,;9.68,1.81,;9.68,3.35,;11.01,4.12,;8.34,4.12,;8.34,5.66,;7.01,3.35,;-3.66,-1.27,;-4.99,-.5,;-6.32,-1.28,;-7.65,-.51,;-7.65,1.03,;-6.32,1.81,;-4.99,1.04,)| Show InChI InChI=1S/C23H25Cl2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 3853-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4 |
More data for this
Ligand-Target Pair | |
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