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BDBM50329960 (3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)methanone::CHEMBL1269568

SMILES: Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1

InChI Key: InChIKey=OJUNTGQGOBJANH-QDSWCARHSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329960   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329960
PNG
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)
Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r|
Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 211n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329960
PNG
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)
Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r|
Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329960
PNG
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)
Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r|
Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329960
PNG
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)
Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r|
Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair