BDBM50280456 CHEMBL153466::{(4S,7R,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-4-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradec-7-yl}-acetic acid

SMILES: CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O

InChI Key: InChIKey=YOZBAOXLTILTGR-PXIRGPTDSA-N

Data: 4 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 4 hits for monomerid = 50280456   

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 (GUINEA PIG)	BDBM50280456 (CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Guinea pig ileum smooth muscle				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50280456 (CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against delta receptor with [3H]-[p-Cl-Phe4]-DPDPE				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50280456 (CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Mouse vas deferens smooth muscle				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50280456 (CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.20	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 with [3H]-CTOP				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair