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BDBM144744 US8952128, 6B

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=KZYVIWIXEQBYLC-UJIVTYKBNA-N

Data: 2 KI

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 2 hits for monomerid = 144744   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144744
PNG
(US8952128, 6B)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C78H100F2N16O9S/c1-46(97)69-77(105)94-63(38-49-33-53(79)41-54(80)34-49)70(98)85-29-14-12-24-60(84-31-32-106-45-50-35-57-56-22-15-26-59-68(56)52(43-88-59)40-67(57)96(2)44-50)71(99)89-62(27-16-30-86-78(82)83)72(100)91-64(36-47-17-5-3-6-18-47)74(102)92-65(37-48-19-7-4-8-20-48)75(103)93-66(39-51-42-87-58-23-10-9-21-55(51)58)76(104)90-61(73(101)95-69)25-11-13-28-81/h3-10,15,17-23,26,33-34,41-43,46,50,57,60-67,69,84,87-88,97H,11-14,16,24-25,27-32,35-40,44-45,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t46-,50-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.25 -13.1n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144744
PNG
(US8952128, 6B)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C78H100F2N16O9S/c1-46(97)69-77(105)94-63(38-49-33-53(79)41-54(80)34-49)70(98)85-29-14-12-24-60(84-31-32-106-45-50-35-57-56-22-15-26-59-68(56)52(43-88-59)40-67(57)96(2)44-50)71(99)89-62(27-16-30-86-78(82)83)72(100)91-64(36-47-17-5-3-6-18-47)74(102)92-65(37-48-19-7-4-8-20-48)75(103)93-66(39-51-42-87-58-23-10-9-21-55(51)58)76(104)90-61(73(101)95-69)25-11-13-28-81/h3-10,15,17-23,26,33-34,41-43,46,50,57,60-67,69,84,87-88,97H,11-14,16,24-25,27-32,35-40,44-45,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t46-,50-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.4n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair