BindingDB PrimarySearch

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50221815
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair