BDBM50173131 CHEMBL3810101

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

InChI Key: InChIKey=CATQJVYULSTQBK-KOQODJNWSA-N

Data: 4 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 4 hits for monomerid = 50173131   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50173131 (CHEMBL3810101) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H68N14O8/c1-3-24(2)34(40(64)52-30(35(45)59)9-4-5-19-43)56-37(61)31(10-7-21-51-42(48)49)53-38(62)33(23-26-13-17-28(58)18-14-26)55-39(63)32(22-25-11-15-27(57)16-12-25)54-36(60)29(44)8-6-20-50-41(46)47/h11-18,24,29-34,57-58H,3-10,19-23,43-44H2,1-2H3,(H2,45,59)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H4,46,47,50)(H4,48,49,51)/t24-,29-,30-,31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50173131 (CHEMBL3810101) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H68N14O8/c1-3-24(2)34(40(64)52-30(35(45)59)9-4-5-19-43)56-37(61)31(10-7-21-51-42(48)49)53-38(62)33(23-26-13-17-28(58)18-14-26)55-39(63)32(22-25-11-15-27(57)16-12-25)54-36(60)29(44)8-6-20-50-41(46)47/h11-18,24,29-34,57-58H,3-10,19-23,43-44H2,1-2H3,(H2,45,59)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H4,46,47,50)(H4,48,49,51)/t24-,29-,30-,31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50173131 (CHEMBL3810101) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H68N14O8/c1-3-24(2)34(40(64)52-30(35(45)59)9-4-5-19-43)56-37(61)31(10-7-21-51-42(48)49)53-38(62)33(23-26-13-17-28(58)18-14-26)55-39(63)32(22-25-11-15-27(57)16-12-25)54-36(60)29(44)8-6-20-50-41(46)47/h11-18,24,29-34,57-58H,3-10,19-23,43-44H2,1-2H3,(H2,45,59)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H4,46,47,50)(H4,48,49,51)/t24-,29-,30-,31-,32-,33-,34-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173131 (CHEMBL3810101) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H68N14O8/c1-3-24(2)34(40(64)52-30(35(45)59)9-4-5-19-43)56-37(61)31(10-7-21-51-42(48)49)53-38(62)33(23-26-13-17-28(58)18-14-26)55-39(63)32(22-25-11-15-27(57)16-12-25)54-36(60)29(44)8-6-20-50-41(46)47/h11-18,24,29-34,57-58H,3-10,19-23,43-44H2,1-2H3,(H2,45,59)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H4,46,47,50)(H4,48,49,51)/t24-,29-,30-,31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair