BDBM50544366 CHEMBL4647963

SMILES: Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=YCZKMQXSVCMJPL-PTLVVNQVSA-N

Data: 5 IC50  2 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 7 hits for monomerid = 50544366   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.335	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 9705-9730 (2020)
					More data for this Ligand-Target Pair