null

SMILES: NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=RMXYSWNIIUMPEL-DZAYMDIMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50145127   

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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50145127 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(2-aminoethyl...) Show SMILES NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29-39(65)57-32(22-35(47)61)42(68)58-33(44(70)59-18-5-9-34(59)43(69)55-28(8-4-17-51-45(49)50)38(64)52-23-36(48)62)24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(41(67)54-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29?,30-,31+,32+,33+,34+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50145127 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(2-aminoethyl...) Show SMILES NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29-39(65)57-32(22-35(47)61)42(68)58-33(44(70)59-18-5-9-34(59)43(69)55-28(8-4-17-51-45(49)50)38(64)52-23-36(48)62)24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(41(67)54-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29?,30-,31+,32+,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50145127 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(2-aminoethyl...) Show SMILES NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29-39(65)57-32(22-35(47)61)42(68)58-33(44(70)59-18-5-9-34(59)43(69)55-28(8-4-17-51-45(49)50)38(64)52-23-36(48)62)24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(41(67)54-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29?,30-,31+,32+,33+,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	482	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50145127 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(2-aminoethyl...) Show SMILES NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29-39(65)57-32(22-35(47)61)42(68)58-33(44(70)59-18-5-9-34(59)43(69)55-28(8-4-17-51-45(49)50)38(64)52-23-36(48)62)24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(41(67)54-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29?,30-,31+,32+,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	568	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair