BDBM50016318 CHEMBL411357::[Mpa1,MeAla7,D-Arg8]VP (Vasopressin )

SMILES: C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=HQCRRAJYUUUANZ-WBNFCJQJSA-N

Data: 4 Kd

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 4 hits for monomerid = 50016318   

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
AVPR2 (BOVINE)	BDBM50016318 (CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...) Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against plasma membrane from bovine kidney inner medulla				J Med Chem 29: 96-9 (1986) BindingDB Entry DOI: 10.7270/Q2P849V1
					More data for this Ligand-Target Pair
Vasopressin V1 receptor (RAT)	BDBM50016318 (CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...) Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand				J Med Chem 29: 96-9 (1986) BindingDB Entry DOI: 10.7270/Q2P849V1
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (BOVINE)	BDBM50016318 (CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...) Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]AVP as a radioligand				J Med Chem 29: 96-9 (1986) BindingDB Entry DOI: 10.7270/Q2P849V1
					More data for this Ligand-Target Pair
Vasopressin V1 receptor (RAT)	BDBM50016318 (CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...) Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against plasma membrane from rat liver				J Med Chem 29: 96-9 (1986) BindingDB Entry DOI: 10.7270/Q2P849V1
					More data for this Ligand-Target Pair