BDBM50133220 CHEMBL3634920

SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O

InChI Key InChIKey=CKVCQIQNFCFSBW-KWBGLVKESA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133220   

TargetKappa-type opioid receptor(Rattus norvegicus (rat))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50133220(CHEMBL3634920)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/m0/s1
Affinity DataKi:  44nMAssay Description:Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counterMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50133220(CHEMBL3634920)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/m0/s1
Affinity DataKi:  1.09E+4nMAssay Description:Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counterMore data for this Ligand-Target Pair