BDBM50062214 CHEMBL406459::FVPTDVGAFAF

SMILES: CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=SQQZSWBNZZDEAJ-ILJNECBNSA-N

Data: 2 KI  1 IC50

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 = 50062214   

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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50062214 (CHEMBL406459 | FVPTDVGAFAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells				J Med Chem 49: 616-24 (2006) Article DOI: 10.1021/jm050613s BindingDB Entry DOI: 10.7270/Q280526H
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50062214 (CHEMBL406459 | FVPTDVGAFAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells				J Med Chem 49: 616-24 (2006) Article DOI: 10.1021/jm050613s BindingDB Entry DOI: 10.7270/Q280526H
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50062214 (CHEMBL406459 | FVPTDVGAFAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zürich Curated by ChEMBL					Assay Description CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.				J Med Chem 41: 117-23 (1998) Article DOI: 10.1021/jm970533r BindingDB Entry DOI: 10.7270/Q2736Q0S
					More data for this Ligand-Target Pair