BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1394 hits with Last Name = 'patel' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410041
PNG
(CHEMBL178951)
Show SMILES NC(C=O)c1cccc(c1)N1[C@H](Cc2ccccc2)[C@H](O)[C@@H](CCc2ccccc2)N(C1=O)c1cccc(c1)C(=N)NO
Show InChI InChI=1S/C34H35N5O4/c35-29(22-40)25-13-7-15-27(20-25)39-31(19-24-11-5-2-6-12-24)32(41)30(18-17-23-9-3-1-4-10-23)38(34(39)42)28-16-8-14-26(21-28)33(36)37-43/h1-16,20-22,29-32,41,43H,17-19,35H2,(H2,36,37)/t29?,30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0182n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410036
PNG
(CHEMBL179761)
Show SMILES NC(=O)c1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H32N4O4/c34-31(39)24-13-7-15-26(20-24)36-28(18-17-22-9-3-1-4-10-22)30(38)29(19-23-11-5-2-6-12-23)37(33(36)41)27-16-8-14-25(21-27)32(35)40/h1-16,20-21,28-30,38H,17-19H2,(H2,34,39)(H2,35,40)/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0871n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410038
PNG
(CHEMBL179103)
Show SMILES Nc1cc(ccc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(F)c(N)c1
Show InChI InChI=1S/C31H30F2N4O2/c32-24-14-12-22(18-26(24)34)36-28(16-11-20-7-3-1-4-8-20)30(38)29(17-21-9-5-2-6-10-21)37(31(36)39)23-13-15-25(33)27(35)19-23/h1-10,12-15,18-19,28-30,38H,11,16-17,34-35H2/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.251n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410028
PNG
(CHEMBL359753)
Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C31H30N2O4/c34-26-15-7-13-24(20-26)32-28(18-17-22-9-3-1-4-10-22)30(36)29(19-23-11-5-2-6-12-23)33(31(32)37)25-14-8-16-27(35)21-25/h1-16,20-21,28-30,34-36H,17-19H2/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.302n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410031
PNG
(CHEMBL362069)
Show SMILES OCc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(CO)c1
Show InChI InChI=1S/C33H34N2O4/c36-22-26-13-7-15-28(19-26)34-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)35(33(34)39)29-16-8-14-27(20-29)23-37/h1-16,19-20,30-32,36-38H,17-18,21-23H2/t30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263671
PNG
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50084621
PNG
(BMN 673 | Talazoparib)
Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) after 1 min in presence of NAD by top count analysis


Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002926
PNG
(CHEMBL244325)
Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1CCc2ccccc2CC1 |c:28|
Show InChI InChI=1S/C37H42N6O/c1-26-11-20-33-34(25-26)42(31-18-14-30(15-19-31)38-22-21-35-39-23-24-40-35)37(44)43(41-36(33)29-9-3-2-4-10-29)32-16-12-27-7-5-6-8-28(27)13-17-32/h5-8,11,14-15,18-20,23-25,29,32,38H,2-4,9-10,12-13,16-17,21-22H2,1H3,(H,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.910n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50084621
PNG
(BMN 673 | Talazoparib)
Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 min in presence of NAD by top count analysis


Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032527
PNG
(17-cyclopropylmethyl-10-ethoxy-4-hydroxy-3-methoxy...)
Show SMILES CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12 |TLB:2:3:27.19.18:12.10.11,24:27:3:12.10.11,13:12:3:27.19.18|
Show InChI InChI=1S/C23H31NO4/c1-3-28-23-9-8-17(25)13-22(23)10-11-24(14-15-4-5-15)19(23)12-16-6-7-18(26)21(27-2)20(16)22/h6-7,15,19,26H,3-5,8-14H2,1-2H3/t19?,22?,23-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50446130
PNG
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)
Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23
Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length PARP1 after 4 mins by [32P]NAD+ incorporation assay


Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002913
PNG
(CHEMBL389783)
Show SMILES CN1N=C(C2CCCCC2)c2cc(NCc3ccccc3)c(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O |t:2|
Show InChI InChI=1S/C34H39N7O/c1-24-21-31-29(22-30(24)38-23-25-9-5-3-6-10-25)33(26-11-7-4-8-12-26)39-40(2)34(42)41(31)28-15-13-27(14-16-28)35-18-17-32-36-19-20-37-32/h3,5-6,9-10,13-16,19-22,26,35,38H,4,7-8,11-12,17-18,23H2,1-2H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410042
PNG
(CHEMBL366431)
Show SMILES NC(=O)c1cc(ccc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(F)c(c1)C(N)=O
Show InChI InChI=1S/C33H30F2N4O4/c34-26-14-12-22(18-24(26)31(36)41)38-28(16-11-20-7-3-1-4-8-20)30(40)29(17-21-9-5-2-6-10-21)39(33(38)43)23-13-15-27(35)25(19-23)32(37)42/h1-10,12-15,18-19,28-30,40H,11,16-17H2,(H2,36,41)(H2,37,42)/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410032
PNG
(CHEMBL361980)
Show SMILES COC(=O)c1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(c1)C(=O)OC
Show InChI InChI=1S/C35H34N2O6/c1-42-33(39)26-15-9-17-28(22-26)36-30(20-19-24-11-5-3-6-12-24)32(38)31(21-25-13-7-4-8-14-25)37(35(36)41)29-18-10-16-27(23-29)34(40)43-2/h3-18,22-23,30-32,38H,19-21H2,1-2H3/t30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.51n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410045
PNG
(CHEMBL179250)
Show SMILES Nc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(N)c1
Show InChI InChI=1S/C31H32N4O2/c32-24-13-7-15-26(20-24)34-28(18-17-22-9-3-1-4-10-22)30(36)29(19-23-11-5-2-6-12-23)35(31(34)37)27-16-8-14-25(33)21-27/h1-16,20-21,28-30,36H,17-19,32-33H2/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002915
PNG
(CHEMBL389787)
Show SMILES CN1N=C(C2CCCCC2)c2cc(OCc3ccccc3)c(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O |t:2|
Show InChI InChI=1S/C34H38N6O2/c1-24-21-30-29(22-31(24)42-23-25-9-5-3-6-10-25)33(26-11-7-4-8-12-26)38-39(2)34(41)40(30)28-15-13-27(14-16-28)35-18-17-32-36-19-20-37-32/h3,5-6,9-10,13-16,19-22,26,35H,4,7-8,11-12,17-18,23H2,1-2H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263724
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410027
PNG
(CHEMBL180816)
Show SMILES OCc1ccc(cc1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(CO)cc1
Show InChI InChI=1S/C33H34N2O4/c36-22-26-11-16-28(17-12-26)34-30(20-15-24-7-3-1-4-8-24)32(38)31(21-25-9-5-2-6-10-25)35(33(34)39)29-18-13-27(23-37)14-19-29/h1-14,16-19,30-32,36-38H,15,20-23H2/t30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263620
PNG
(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50316226
PNG
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002923
PNG
(CHEMBL243698)
Show SMILES CC(C)N1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O |t:4|
Show InChI InChI=1S/C29H36N6O/c1-20(2)35-29(36)34(24-12-10-23(11-13-24)30-16-15-27-31-17-18-32-27)26-19-21(3)9-14-25(26)28(33-35)22-7-5-4-6-8-22/h9-14,17-20,22,30H,4-8,15-16H2,1-3H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002924
PNG
(CHEMBL242567)
Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 |c:36|
Show InChI InChI=1S/C33H36N6O/c1-24-12-17-29-30(22-24)39(28-15-13-27(14-16-28)34-19-18-31-35-20-21-36-31)33(40)38(23-25-8-4-2-5-9-25)37-32(29)26-10-6-3-7-11-26/h2,4-5,8-9,12-17,20-22,26,34H,3,6-7,10-11,18-19,23H2,1H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50316226
PNG
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032530
PNG
(17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...)
Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15|
Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain ...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410034
PNG
(CHEMBL181166)
Show SMILES CNc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(NC)c1
Show InChI InChI=1S/C33H36N4O2/c1-34-26-15-9-17-28(22-26)36-30(20-19-24-11-5-3-6-12-24)32(38)31(21-25-13-7-4-8-14-25)37(33(36)39)29-18-10-16-27(23-29)35-2/h3-18,22-23,30-32,34-35,38H,19-21H2,1-2H3/t30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263619
PNG
(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032527
PNG
(17-cyclopropylmethyl-10-ethoxy-4-hydroxy-3-methoxy...)
Show SMILES CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12 |TLB:2:3:27.19.18:12.10.11,24:27:3:12.10.11,13:12:3:27.19.18|
Show InChI InChI=1S/C23H31NO4/c1-3-28-23-9-8-17(25)13-22(23)10-11-24(14-15-4-5-15)19(23)12-16-6-7-18(26)21(27-2)20(16)22/h6-7,15,19,26H,3-5,8-14H2,1-2H3/t19?,22?,23-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pi...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032530
PNG
(17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...)
Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15|
Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002914
PNG
(CHEMBL244956)
Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1CCOCC1 |c:28|
Show InChI InChI=1S/C31H38N6O2/c1-22-7-12-27-28(21-22)36(25-10-8-24(9-11-25)32-16-13-29-33-17-18-34-29)31(38)37(26-14-19-39-20-15-26)35-30(27)23-5-3-2-4-6-23/h7-12,17-18,21,23,26,32H,2-6,13-16,19-20H2,1H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263724
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002922
PNG
(CHEMBL224729)
Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCOCC1)C1CCc2ccccc2CC1 |c:28|
Show InChI InChI=1S/C36H40N6O2/c1-25-6-15-32-33(24-25)41(30-13-9-29(10-14-30)37-19-16-34-38-20-21-39-34)36(43)42(40-35(32)28-17-22-44-23-18-28)31-11-7-26-4-2-3-5-27(26)8-12-31/h2-6,9-10,13-15,20-21,24,28,31,37H,7-8,11-12,16-19,22-23H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002925
PNG
(CHEMBL244074)
Show SMILES CCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O |t:4|
Show InChI InChI=1S/C29H36N6O/c1-3-19-34-29(36)35(24-12-10-23(11-13-24)30-16-15-27-31-17-18-32-27)26-20-21(2)9-14-25(26)28(33-34)22-7-5-4-6-8-22/h9-14,17-18,20,22,30H,3-8,15-16,19H2,1-2H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032526
PNG
(17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo...)
Show SMILES COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
Show InChI InChI=1S/C21H27NO4/c1-4-10-22-11-9-20-13-15(23)7-8-21(20,26-3)17(22)12-14-5-6-16(24)19(25-2)18(14)20/h4-6,17,24H,1,7-13H2,2-3H3/t17?,20?,21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50410035
PNG
(CHEMBL181514)
Show SMILES Nc1ccc(cc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(N)c(F)c1
Show InChI InChI=1S/C31H30F2N4O2/c32-24-18-22(12-14-26(24)34)36-28(16-11-20-7-3-1-4-8-20)30(38)29(17-21-9-5-2-6-10-21)37(31(36)39)23-13-15-27(35)25(33)19-23/h1-10,12-15,18-19,28-30,38H,11,16-17,34-35H2/t28-,29-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...


Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263620
PNG
(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50002912
PNG
(CHEMBL388911)
Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1COc2ccccc2OC1 |c:28|
Show InChI InChI=1S/C35H38N6O3/c1-24-11-16-29-30(21-24)40(27-14-12-26(13-15-27)36-18-17-33-37-19-20-38-33)35(42)41(39-34(29)25-7-3-2-4-8-25)28-22-43-31-9-5-6-10-32(31)44-23-28/h5-6,9-16,19-21,25,28,36H,2-4,7-8,17-18,22-23H2,1H3,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells


J Med Chem 50: 4789-92 (2007)

Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1394 total )  |  Next  |  Last  >>
Jump to: