BDBM50367335 CHEMBL1791447

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC

InChI Key: InChIKey=SVSJNSUODBXQIG-RCNKGVCCSA-N

Data: 3 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 3 hits for monomerid = 50367335   

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 (Cavia porcellus (domestic guinea pig))	BDBM50367335 (CHEMBL1791447) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r| Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand				J Med Chem 29: 1222-5 (1987) BindingDB Entry DOI: 10.7270/Q2M04606
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50367335 (CHEMBL1791447) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r| Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand				J Med Chem 29: 1222-5 (1987) BindingDB Entry DOI: 10.7270/Q2M04606
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50367335 (CHEMBL1791447) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r| Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand				J Med Chem 29: 1222-5 (1987) BindingDB Entry DOI: 10.7270/Q2M04606
					More data for this Ligand-Target Pair