BDBM50133219 CHEMBL3634919

SMILES: NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O

InChI Key: InChIKey=RCMRBPMJEBCLQL-GOJVXQPUSA-N

Data: 2 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 2 hits for monomerid = 50133219   

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 (Rattus norvegicus (rat))	BDBM50133219 (CHEMBL3634919) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C61H95N23O13/c1-2-24-70-42(29-36-19-21-37(85)22-20-36)51(90)76-33-48(87)75-34-49(88)77-43(30-35-12-4-3-5-13-35)54(93)82-44-31-47(86)74-32-45(83-53(92)40(16-9-26-72-60(66)67)79-52(91)39(80-55(44)94)15-8-25-71-59(64)65)56(95)81-41(17-10-27-73-61(68)69)58(97)84-28-11-18-46(84)57(96)78-38(50(63)89)14-6-7-23-62/h2-5,12-13,19-22,38-46,70,85H,1,6-11,14-18,23-34,62H2,(H2,63,89)(H,74,86)(H,75,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,83,92)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t38-,39-,40-,41-,42-,43-,44+,45?,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter				J Med Chem 58: 8783-95 (2015) BindingDB Entry DOI: 10.7270/Q2348N7Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133219 (CHEMBL3634919) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C61H95N23O13/c1-2-24-70-42(29-36-19-21-37(85)22-20-36)51(90)76-33-48(87)75-34-49(88)77-43(30-35-12-4-3-5-13-35)54(93)82-44-31-47(86)74-32-45(83-53(92)40(16-9-26-72-60(66)67)79-52(91)39(80-55(44)94)15-8-25-71-59(64)65)56(95)81-41(17-10-27-73-61(68)69)58(97)84-28-11-18-46(84)57(96)78-38(50(63)89)14-6-7-23-62/h2-5,12-13,19-22,38-46,70,85H,1,6-11,14-18,23-34,62H2,(H2,63,89)(H,74,86)(H,75,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,83,92)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t38-,39-,40-,41-,42-,43-,44+,45?,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter				J Med Chem 58: 8783-95 (2015) BindingDB Entry DOI: 10.7270/Q2348N7Z
					More data for this Ligand-Target Pair