BDBM50138779 CHEMBL414477::Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2

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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=YKRXQWXJYINSNO-UTNUBTFASA-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 = 50138779   

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))	BDBM50138779 (CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2) 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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50138779 (CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2) 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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50138779 (CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2) 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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair