BDBM50350857 CHEMBL1817750

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

InChI Key: InChIKey=MLQGJWKVPTWZAE-VIZGXHJBSA-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 = 50350857   

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 V1b receptor (Homo sapiens (Human))	BDBM50350857 (CHEMBL1817750) 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](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-4-21(2)33-40(64)51-27(17-32(57)46-3)37(61)50-26(16-30(44)55)36(60)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-6-5-7-10-22)41(65)54-14-8-11-29(54)39(63)48-24(12-13-42)35(59)47-18-31(45)56/h5-7,9-10,21,23-29,33H,4,8,11-20,42-43H2,1-3H3,(H2,44,55)(H2,45,56)(H,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,61)(H,51,64)(H,52,60)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.70	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))	BDBM50350857 (CHEMBL1817750) 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](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-4-21(2)33-40(64)51-27(17-32(57)46-3)37(61)50-26(16-30(44)55)36(60)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-6-5-7-10-22)41(65)54-14-8-11-29(54)39(63)48-24(12-13-42)35(59)47-18-31(45)56/h5-7,9-10,21,23-29,33H,4,8,11-20,42-43H2,1-3H3,(H2,44,55)(H2,45,56)(H,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,61)(H,51,64)(H,52,60)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/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))	BDBM50350857 (CHEMBL1817750) 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](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-4-21(2)33-40(64)51-27(17-32(57)46-3)37(61)50-26(16-30(44)55)36(60)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-6-5-7-10-22)41(65)54-14-8-11-29(54)39(63)48-24(12-13-42)35(59)47-18-31(45)56/h5-7,9-10,21,23-29,33H,4,8,11-20,42-43H2,1-3H3,(H2,44,55)(H2,45,56)(H,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,61)(H,51,64)(H,52,60)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/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	5.30E+3	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 V1a receptor (Homo sapiens (Human))	BDBM50350857 (CHEMBL1817750) 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](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-4-21(2)33-40(64)51-27(17-32(57)46-3)37(61)50-26(16-30(44)55)36(60)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-6-5-7-10-22)41(65)54-14-8-11-29(54)39(63)48-24(12-13-42)35(59)47-18-31(45)56/h5-7,9-10,21,23-29,33H,4,8,11-20,42-43H2,1-3H3,(H2,44,55)(H2,45,56)(H,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,61)(H,51,64)(H,52,60)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/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	3.90	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