BDBM50350849 CHEMBL1817702

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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O

InChI Key: InChIKey=UFXWPXXCMCHPHB-GHDRINTISA-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 = 50350849   

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))	BDBM50350849 (CHEMBL1817702) 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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46	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
AVPR1A (RAT)	BDBM50350849 (CHEMBL1817702) 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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.340	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50350849 (CHEMBL1817702) 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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/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))	BDBM50350849 (CHEMBL1817702) 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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/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	1.60E+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))	BDBM50350849 (CHEMBL1817702) 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](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/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	0.891	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