BDBM50133253 CHEMBL3634924

SMILES: C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)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=KCZWPZBREYCSQW-PRJPWVFISA-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 = 50133253   

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))	BDBM50133253 (CHEMBL3634924) Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	4.01E+3	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))	BDBM50133253 (CHEMBL3634924) Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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