BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 52 hits from Cerep   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211167
PNG
(CHEMBL213255 | biphenyl-4-carboxylic acid [3-metho...)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H28N2O3/c1-30-25-19-23(13-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50150715
PNG
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1
Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211174
PNG
(CHEMBL246588 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)
Show SMILES COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H28N2O4/c1-30-25-19-21(11-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211173
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O4/c1-31-25-19-21(11-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-20-9-12-23(13-10-20)33-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
164n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211160
PNG
((Z)-5-(4-((3-hydroxypyrrolidin-1-yl)methyl)benzyli...)
Show SMILES OC1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)C1
Show InChI InChI=1S/C27H25N3O4/c31-22-14-15-29(18-22)17-20-8-6-19(7-9-20)16-25-26(32)30(27(33)28-25)21-10-12-24(13-11-21)34-23-4-2-1-3-5-23/h1-13,16,22,31H,14-15,17-18H2,(H,28,33)/b25-16-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
176n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211172
PNG
(1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(NC(=O)Nc2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O3/c1-31-25-19-23(13-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211176
PNG
((Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-...)
Show SMILES CN(C)Cc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
341n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211168
PNG
((Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phen...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H29N3O3/c33-28-27(20-22-10-12-23(13-11-22)21-31-18-6-1-2-7-19-31)30-29(34)32(28)24-14-16-26(17-15-24)35-25-8-4-3-5-9-25/h3-5,8-17,20H,1-2,6-7,18-19,21H2,(H,30,34)/b27-20-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
357n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211170
PNG
(3-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1c(O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
365n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
370n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211161
PNG
(3-biphenyl-4-yl-1-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(cc2)-c2ccccc2)c1=O
Show InChI InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
415n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211171
PNG
((Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benz...)
Show SMILES CN(C)CCNCc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28N4O3/c1-30(2)17-16-28-19-21-10-8-20(9-11-21)18-25-26(32)31(27(33)29-25)22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-15,18,28H,16-17,19H2,1-2H3,(H,29,33)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
707n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
880n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211169
PNG
(CHEMBL394311 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)
Show SMILES COc1cc(Nc2nc(cs2)-c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C28H29N3O3S/c1-32-27-19-22(11-14-26(27)33-18-17-31-15-5-6-16-31)29-28-30-25(20-35-28)21-9-12-24(13-10-21)34-23-7-3-2-4-8-23/h2-4,7-14,19-20H,5-6,15-18H2,1H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211163
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O3S/c1-30-25-19-21(11-14-24(25)31-18-17-29-15-5-6-16-29)28-26(33)27-20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.09E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211177
PNG
((Z)-5-(4-((4-acetylpiperazin-1-yl)methyl)benzylide...)
Show SMILES CC(=O)N1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1
Show InChI InChI=1S/C29H28N4O4/c1-21(34)32-17-15-31(16-18-32)20-23-9-7-22(8-10-23)19-27-28(35)33(29(36)30-27)24-11-13-26(14-12-24)37-25-5-3-2-4-6-25/h2-14,19H,15-18,20H2,1H3,(H,30,36)/b27-19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.06E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211181
PNG
((Z)-5-(4-((4-phenylpiperazin-1-yl)methyl)benzylide...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCN(CC3)c3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H30N4O3/c38-32-31(34-33(39)37(32)28-15-17-30(18-16-28)40-29-9-5-2-6-10-29)23-25-11-13-26(14-12-25)24-35-19-21-36(22-20-35)27-7-3-1-4-8-27/h1-18,23H,19-22,24H2,(H,34,39)/b31-23-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211162
PNG
((Z)-5-(4-((4-benzylpiperazin-1-yl)methyl)benzylide...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C34H32N4O3/c39-33-32(35-34(40)38(33)29-15-17-31(18-16-29)41-30-9-5-2-6-10-30)23-26-11-13-28(14-12-26)25-37-21-19-36(20-22-37)24-27-7-3-1-4-8-27/h1-18,23H,19-22,24-25H2,(H,35,40)/b32-23-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211165
PNG
((Z)-5-(4-(piperidin-1-ylmethyl)benzylidene)-3-(4-p...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H27N3O3/c32-27-26(19-21-9-11-22(12-10-21)20-30-17-5-2-6-18-30)29-28(33)31(27)23-13-15-25(16-14-23)34-24-7-3-1-4-8-24/h1,3-4,7-16,19H,2,5-6,17-18,20H2,(H,29,33)/b26-19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211180
PNG
((Z)-5-(4-(morpholinomethyl)benzylidene)-3-(4-pheno...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCOCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-26-25(18-20-6-8-21(9-7-20)19-29-14-16-33-17-15-29)28-27(32)30(26)22-10-12-24(13-11-22)34-23-4-2-1-3-5-23/h1-13,18H,14-17,19H2,(H,28,32)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211175
PNG
((Z)-5-(4-((benzylamino)methyl)benzylidene)-3-(4-ph...)
Show SMILES O=C1N\C(=C/c2ccc(CNCc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H25N3O3/c34-29-28(19-22-11-13-24(14-12-22)21-31-20-23-7-3-1-4-8-23)32-30(35)33(29)25-15-17-27(18-16-25)36-26-9-5-2-6-10-26/h1-19,31H,20-21H2,(H,32,35)/b28-19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211178
PNG
(1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1c(O)cn(-c2ccc(cc2)-c2ccccc2)c1=O
Show InChI InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50211179
PNG
((Z)-5-(4-((cyclopentylamino)methyl)benzylidene)-3-...)
Show SMILES O=C1N\C(=C/c2ccc(CNC3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H27N3O3/c32-27-26(18-20-10-12-21(13-11-20)19-29-22-6-4-5-7-22)30-28(33)31(27)23-14-16-25(17-15-23)34-24-8-2-1-3-9-24/h1-3,8-18,22,29H,4-7,19H2,(H,30,33)/b26-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
GPR145


(HUMAN)
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to MCHR2


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199036
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199031
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H23Cl2N5O2/c1-35-29(39)37(25-13-23(31)12-24(32)14-25)28(38)30(35)18-36(17-26(30)21-7-4-19(15-33)5-8-21)16-20-6-9-27-22(11-20)3-2-10-34-27/h2-14,26H,16-18H2,1H3/t26-,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199037
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199030
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1)C(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H20Cl2N4O6S/c1-31-26(37)33(21-11-19(28)10-20(29)12-21)25(36)27(31)15-32(14-23(27)17-4-2-16(13-30)3-5-17)40(38,39)22-8-6-18(7-9-22)24(34)35/h2-12,23H,14-15H2,1H3,(H,34,35)/t23-,27+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199035
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-me...)
Show SMILES CC(C)CN1C[C@@H](c2ccc(cc2)C#N)[C@@]2(C1)N(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N4O2/c1-15(2)12-29-13-21(17-6-4-16(11-27)5-7-17)24(14-29)22(31)30(23(32)28(24)3)20-9-18(25)8-19(26)10-20/h4-10,15,21H,12-14H2,1-3H3/t21-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199039
PNG
(4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-meth...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-31-26(35)33(23-12-21(28)11-22(29)13-23)25(34)27(31)17-32(15-19-5-3-2-4-6-19)16-24(27)20-9-7-18(14-30)8-10-20/h2-13,24H,15-17H2,1H3/t24-,27+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199033
PNG
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199033
PNG
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50154496
PNG
((R)-5-(4-Bromo-benzyl)-3-(3,5-dichloro-phenyl)-1,5...)
Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199038
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(CCCC(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22Cl2N4O4/c1-28-23(34)30(19-10-17(25)9-18(26)11-19)22(33)24(28)14-29(8-2-3-21(31)32)13-20(24)16-6-4-15(12-27)5-7-16/h4-7,9-11,20H,2-3,8,13-14H2,1H3,(H,31,32)/t20-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160927
PNG
((6S,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199032
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CCC(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H20Cl2N4O5/c1-28-23(35)30(18-9-16(25)8-17(26)10-18)22(34)24(28)13-29(20(31)6-7-21(32)33)12-19(24)15-4-2-14(11-27)3-5-15/h2-5,8-10,19H,6-7,12-13H2,1H3,(H,32,33)/t19-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 164n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160919
PNG
((6S,7aS)-6-[(4''-Bromo-biphenyl-3-ylmethyl)-methyl...)
Show SMILES CN(Cc1cccc(c1)-c1ccc(Br)cc1)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1
Show InChI InChI=1S/C26H22BrCl2N3O2/c1-30(14-16-3-2-4-18(9-16)17-5-7-19(27)8-6-17)23-13-24-25(33)32(26(34)31(24)15-23)22-11-20(28)10-21(29)12-22/h2-12,23,33H,13-15H2,1H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160925
PNG
(3''-{[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-h...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)NCc1cccc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20Cl2N4O2/c27-20-9-21(28)11-23(10-20)32-25(33)24-12-22(15-31(24)26(32)34)30-14-17-2-1-3-19(8-17)18-6-4-16(13-29)5-7-18/h1-11,22,30,33H,12,14-15H2/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160924
PNG
(3''-[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-he...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N3O3/c27-20-9-21(28)11-22(10-20)31-25(32)24-12-23(14-30(24)26(31)33)34-15-17-2-1-3-19(8-17)18-6-4-16(13-29)5-7-18/h1-11,23,32H,12,14-15H2/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160920
PNG
((6R,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)
Show SMILES Oc1c2C[C@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 275n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160929
PNG
((6S,7aS)-6-(4''-Bromo-biphenyl-3-ylmethylsulfanyl)...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)SCc1cccc(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H19BrCl2N2O2S/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199034
PNG
(5-[(5R,9S)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@@]11CN(Cc2cc(cs2)C(O)=O)C[C@@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160923
PNG
((6S,7aS)-6-(4''-Bromo-biphenyl-4-yloxy)-2-(3,5-dic...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)Oc1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrCl2N2O3/c25-16-5-1-14(2-6-16)15-3-7-20(8-4-15)32-21-12-22-23(30)29(24(31)28(22)13-21)19-10-17(26)9-18(27)11-19/h1-11,21,30H,12-13H2/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160928
PNG
((6R,7aR)-6-(4''-Chloro-biphenyl-3-ylmethoxy)-2-(3,...)
Show SMILES Oc1c2C[C@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl3N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50160926
PNG
(3''-({[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-...)
Show SMILES CCN(Cc1cccc(c1)-c1ccc(cc1)C#N)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1
Show InChI InChI=1S/C28H24Cl2N4O2/c1-2-32(16-19-4-3-5-21(10-19)20-8-6-18(15-31)7-9-20)25-14-26-27(35)34(28(36)33(26)17-25)24-12-22(29)11-23(30)13-24/h3-13,25,35H,2,14,16-17H2,1H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>
Jump to: