BDBM50452485 CHEMBL2369462

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)C(N)=O

InChI Key: InChIKey=UTVDBZZFSYBERO-HEPAAIAKSA-N

Data: 3 IC50

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 3 hits for monomerid = 50452485   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50452485 (CHEMBL2369462) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)C(N)=O Show InChI InChI=1S/C48H62N10O9S2/c1-26(59)39(41(50)61)57-47(67)40-48(2,3)69-68-25-38(56-43(63)35-21-28-10-4-5-11-29(28)23-52-35)46(66)54-36(20-27-15-17-31(60)18-16-27)44(64)55-37(22-30-24-51-33-13-7-6-12-32(30)33)45(65)53-34(42(62)58-40)14-8-9-19-49/h4-7,10-13,15-18,24,26,34-40,51-52,59-60H,8-9,14,19-23,25,49H2,1-3H3,(H2,50,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,57,67)(H,58,62)/t26-,34+,35-,36-,37+,38+,39+,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- CTOP in Opioid receptor mu 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair
Somatostatin receptor (RAT)	BDBM50452485 (CHEMBL2369462) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)C(N)=O Show InChI InChI=1S/C48H62N10O9S2/c1-26(59)39(41(50)61)57-47(67)40-48(2,3)69-68-25-38(56-43(63)35-21-28-10-4-5-11-29(28)23-52-35)46(66)54-36(20-27-15-17-31(60)18-16-27)44(64)55-37(22-30-24-51-33-13-7-6-12-32(30)33)45(65)53-34(42(62)58-40)14-8-9-19-49/h4-7,10-13,15-18,24,26,34-40,51-52,59-60H,8-9,14,19-23,25,49H2,1-3H3,(H2,50,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,57,67)(H,58,62)/t26-,34+,35-,36-,37+,38+,39+,40-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [125I]- CGP-23996 in somatostatin receptor binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50452485 (CHEMBL2369462) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)C(N)=O Show InChI InChI=1S/C48H62N10O9S2/c1-26(59)39(41(50)61)57-47(67)40-48(2,3)69-68-25-38(56-43(63)35-21-28-10-4-5-11-29(28)23-52-35)46(66)54-36(20-27-15-17-31(60)18-16-27)44(64)55-37(22-30-24-51-33-13-7-6-12-32(30)33)45(65)53-34(42(62)58-40)14-8-9-19-49/h4-7,10-13,15-18,24,26,34-40,51-52,59-60H,8-9,14,19-23,25,49H2,1-3H3,(H2,50,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,57,67)(H,58,62)/t26-,34+,35-,36-,37+,38+,39+,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair