BDBM50106478 CHEMBL443591::FGGFTGARKCARKC

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O

InChI Key: InChIKey=FFSMSFSCPVDTCZ-HAWNEHGESA-N

Data: 1 IC50  1 EC50

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 = 50106478   

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))	BDBM50106478 (CHEMBL443591 | FGGFTGARKCARKC) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O Show InChI InChI=1S/C64H103N23O15S2/c1-35(78-49(90)32-77-62(102)51(37(3)88)87-60(100)45(29-39-18-8-5-9-19-39)80-50(91)31-75-48(89)30-76-55(95)40(67)28-38-16-6-4-7-17-38)53(93)81-43(22-14-26-73-63(69)70)56(96)84-42(21-11-13-25-66)59(99)86-47-34-104-103-33-46(52(68)92)85-58(98)41(20-10-12-24-65)83-57(97)44(23-15-27-74-64(71)72)82-54(94)36(2)79-61(47)101/h4-9,16-19,35-37,40-47,51,88H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,93)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.122	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane				J Med Chem 44: 4015-8 (2001) BindingDB Entry DOI: 10.7270/Q25H7FJJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50106478 (CHEMBL443591 | FGGFTGARKCARKC) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O Show InChI InChI=1S/C64H103N23O15S2/c1-35(78-49(90)32-77-62(102)51(37(3)88)87-60(100)45(29-39-18-8-5-9-19-39)80-50(91)31-75-48(89)30-76-55(95)40(67)28-38-16-6-4-7-17-38)53(93)81-43(22-14-26-73-63(69)70)56(96)84-42(21-11-13-25-66)59(99)86-47-34-104-103-33-46(52(68)92)85-58(98)41(20-10-12-24-65)83-57(97)44(23-15-27-74-64(71)72)82-54(94)36(2)79-61(47)101/h4-9,16-19,35-37,40-47,51,88H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,93)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.37	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Efficacy for human ORL1 receptor expressing HEK-293 cells				J Med Chem 44: 4015-8 (2001) BindingDB Entry DOI: 10.7270/Q25H7FJJ
					More data for this Ligand-Target Pair