null

SMILES: C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1

InChI Key: InChIKey=MSXQJJQAFQWOGH-GABXCANPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133255   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133255 (CHEMBL3634926) Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r| Show InChI InChI=1S/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter				J Med Chem 58: 8783-95 (2015) BindingDB Entry DOI: 10.7270/Q2348N7Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133255 (CHEMBL3634926) Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r| Show InChI InChI=1S/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter				J Med Chem 58: 8783-95 (2015) BindingDB Entry DOI: 10.7270/Q2348N7Z
					More data for this Ligand-Target Pair