BDBM50221815 4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methylpropanamido]propanamido]-3-phenylpropanamido]butanamido]propanamido]pentanoyl]pyrrolidin-3-yl]formamido}-6-oxohexyl)carbamoyl]methyl}sulfanyl)-2,3,5-trichloro-6-(2,2,4,8,10,10-hexamethyl-12,14-disulfonato-2,3,4,7,7a,8,9,10,12,12a-decahydro-1H-13-oxa-1,11-diazapentacen-6-yl)benzoate::CID44428106::[Lys8(Alexa 488)]PVA

SMILES [#6]-[#6]-1-[#6]C([#6])([#6])[#7]=[#6]-2-[#6]-1-[#6]-[#6]-1=[#6](-c3cc4-[#6](-[#6])-[#6]C([#6])([#6])[#7]-c4c(c3-[#8]-[#6]-1-[#6]-2S([#8-])(=O)=O)S([#8-])(=O)=O)-c1c(Cl)c(-[#16]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#7](-[#6]-2)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c(Cl)c(Cl)c1-[#6](-[#8-])=O

InChI Key InChIKey=SVLGRIWNJNOFJU-CRAMPYNJSA-K

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50221815   

TargetVasopressin V1a receptor(Homo sapiens (Human))
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50221815(4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...)
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50221815(4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...)
Affinity DataKi:  1.04nMAssay Description:Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50221815(4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50221815(4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed