BDBM50205292 CHEMBL385068::d[Arg4,Orn8]VP

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

InChI Key: InChIKey=FEMJEHRQGCUGEY-POFDKVPJSA-N

Data: 4 KI

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 = 50205292   

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 receptor (RAT)	BDBM50205292 (CHEMBL385068 | d[Arg4,Orn8]VP) Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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 rat vasopressin V1b receptor expressed in At-T20 cells				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50205292 (CHEMBL385068 | d[Arg4,Orn8]VP) Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	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 vasopressin V2 receptor in rat kidney membranes				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50205292 (CHEMBL385068 | d[Arg4,Orn8]VP) Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	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 vasopressin V1a receptor in rat liver membrane				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50205292 (CHEMBL385068 | d[Arg4,Orn8]VP) Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	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 rat OT receptor expressed in CHO cells				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
					More data for this Ligand-Target Pair