BDBM50285315 3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]ethylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL22553

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=SXFVDYOXRIRODN-UHFFFAOYSA-N

Data: 4 IC50

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 = 50285315   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50285315 (3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10| Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Serotonin transporter				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50285315 (3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10| Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50285315 (3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10| Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50285315 (3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10| Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair