BDBM50350900 CHEMBL1817765

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O

InChI Key: InChIKey=ZAPUJLDBOHTRER-URPKOMAESA-N

Data: 4 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 4 hits for monomerid = 50350900   

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 (Homo sapiens (Human))	BDBM50350900 (CHEMBL1817765) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H59N13O11S3/c1-3-18(2)30-37(61)48-24(13-28(42)53)33(57)47-23(12-27(41)52)34(58)49-25(17-65-64-16-20(40)31(55)46-22(35(59)50-30)11-19-7-10-63-15-19)38(62)51-9-4-5-26(51)36(60)45-21(6-8-39)32(56)44-14-29(43)54/h7,10,15,18,20-26,30H,3-6,8-9,11-14,16-17,39-40H2,1-2H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,60)(H,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)/t18-,20-,21-,22-,23-,24-,25-,26-,30-/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	7.40	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50350900 (CHEMBL1817765) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H59N13O11S3/c1-3-18(2)30-37(61)48-24(13-28(42)53)33(57)47-23(12-27(41)52)34(58)49-25(17-65-64-16-20(40)31(55)46-22(35(59)50-30)11-19-7-10-63-15-19)38(62)51-9-4-5-26(51)36(60)45-21(6-8-39)32(56)44-14-29(43)54/h7,10,15,18,20-26,30H,3-6,8-9,11-14,16-17,39-40H2,1-2H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,60)(H,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)/t18-,20-,21-,22-,23-,24-,25-,26-,30-/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	>1.00E+4	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))	BDBM50350900 (CHEMBL1817765) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H59N13O11S3/c1-3-18(2)30-37(61)48-24(13-28(42)53)33(57)47-23(12-27(41)52)34(58)49-25(17-65-64-16-20(40)31(55)46-22(35(59)50-30)11-19-7-10-63-15-19)38(62)51-9-4-5-26(51)36(60)45-21(6-8-39)32(56)44-14-29(43)54/h7,10,15,18,20-26,30H,3-6,8-9,11-14,16-17,39-40H2,1-2H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,60)(H,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)/t18-,20-,21-,22-,23-,24-,25-,26-,30-/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	>1.00E+4	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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50350900 (CHEMBL1817765) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H59N13O11S3/c1-3-18(2)30-37(61)48-24(13-28(42)53)33(57)47-23(12-27(41)52)34(58)49-25(17-65-64-16-20(40)31(55)46-22(35(59)50-30)11-19-7-10-63-15-19)38(62)51-9-4-5-26(51)36(60)45-21(6-8-39)32(56)44-14-29(43)54/h7,10,15,18,20-26,30H,3-6,8-9,11-14,16-17,39-40H2,1-2H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,60)(H,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)/t18-,20-,21-,22-,23-,24-,25-,26-,30-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	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