BDBM50350869 CHEMBL1817704

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=JBEIGYDQPPRIPD-HOHGFJJGSA-N

Data: 5 EC50

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 5 hits for monomerid = 50350869   

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 V1a receptor (RAT)	BDBM50350869 (CHEMBL1817704) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.126	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant rat vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50350869 (CHEMBL1817704) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.380	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50350869 (CHEMBL1817704) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50350869 (CHEMBL1817704) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50350869 (CHEMBL1817704) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human vasopressin V2 receptor expressed in HEK293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair