null

SMILES: NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1

InChI Key: InChIKey=CPJUVXWWADNXOK-YJBLIXAQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50145116   

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))	BDBM50145116 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C48H63N13O11S3/c49-38(63)24-35-45(70)60-36(47(72)61-18-5-11-37(61)46(71)56-31(10-4-17-53-48(51)52)41(66)54-25-39(50)64)26-75-74-20-16-40(65)55-32(22-28-12-14-29(62)15-13-28)42(67)57-33(21-27-7-2-1-3-8-27)43(68)58-34(44(69)59-35)23-30-9-6-19-73-30/h1-3,6-9,12-15,19,31-37,62H,4-5,10-11,16-18,20-26H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H4,51,52,53)/t31-,32-,33+,34?,35+,36+,37+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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))	BDBM50145116 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C48H63N13O11S3/c49-38(63)24-35-45(70)60-36(47(72)61-18-5-11-37(61)46(71)56-31(10-4-17-53-48(51)52)41(66)54-25-39(50)64)26-75-74-20-16-40(65)55-32(22-28-12-14-29(62)15-13-28)42(67)57-33(21-27-7-2-1-3-8-27)43(68)58-34(44(69)59-35)23-30-9-6-19-73-30/h1-3,6-9,12-15,19,31-37,62H,4-5,10-11,16-18,20-26H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H4,51,52,53)/t31-,32-,33+,34?,35+,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.3	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))	BDBM50145116 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C48H63N13O11S3/c49-38(63)24-35-45(70)60-36(47(72)61-18-5-11-37(61)46(71)56-31(10-4-17-53-48(51)52)41(66)54-25-39(50)64)26-75-74-20-16-40(65)55-32(22-28-12-14-29(62)15-13-28)42(67)57-33(21-27-7-2-1-3-8-27)43(68)58-34(44(69)59-35)23-30-9-6-19-73-30/h1-3,6-9,12-15,19,31-37,62H,4-5,10-11,16-18,20-26H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H4,51,52,53)/t31-,32-,33+,34?,35+,36+,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	369	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))	BDBM50145116 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C48H63N13O11S3/c49-38(63)24-35-45(70)60-36(47(72)61-18-5-11-37(61)46(71)56-31(10-4-17-53-48(51)52)41(66)54-25-39(50)64)26-75-74-20-16-40(65)55-32(22-28-12-14-29(62)15-13-28)42(67)57-33(21-27-7-2-1-3-8-27)43(68)58-34(44(69)59-35)23-30-9-6-19-73-30/h1-3,6-9,12-15,19,31-37,62H,4-5,10-11,16-18,20-26H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H4,51,52,53)/t31-,32-,33+,34?,35+,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.42E+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 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