BDBM50016313 CHEMBL217517::[Val4Sar7]AVP (Arginine-vasopressin )

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

InChI Key: InChIKey=GVAKYFDIHVOOIO-PGRNAUKCSA-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 = 50016313   

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)	BDBM50016313 (CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/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	8.5	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 V2 receptor (BOVINE)	BDBM50016313 (CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/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	9.40	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)	BDBM50016313 (CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	170	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 V1 receptor (RAT)	BDBM50016313 (CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	110	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